(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid

C27H31NO5 — CID 18655473

IUPAC(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C27H31NO5/c1-27(2,3)33-26(32)28-23(17-18-9-5-4-6-10-18)24(29)22(25(30)31)16-19-13-14-20-11-7-8-12-21(20)15-19/h4-15,22-24,29H,16-17H2,1-3H3,(H,28,32)(H,30,31)/t22-,23-,24+/m1/s1
InChIKeyNYWJVESUOHCOGQ-SMIHKQSGSA-N
MW449.55 g/mol
LogP4.58
Rot. Bonds8

About (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid

(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid (PubChem CID 18655473) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid.

Molecular Properties

Compound Name(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid
PubChem CID18655473
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC Name(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C27H31NO5/c1-27(2,3)33-26(32)28-23(17-18-9-5-4-6-10-18)24(29)22(25(30)31)16-19-13-14-20-11-7-8-12-21(20)15-19/h4-15,22-24,29H,16-17H2,1-3H3,(H,28,32)(H,30,31)/t22-,23-,24+/m1/s1
InChIKeyNYWJVESUOHCOGQ-SMIHKQSGSA-N
XLogP4.58
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanylbutanoic acid
CID 23446086
(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoic acid
CID 51357665
(2R,3R,4S)-3-hydroxy-2-(2-methoxyethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 11269056
tert-butyl N-[(2R)-3,4-dihydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 51357391
2-amino-3-phenylpropanamide;2-[[(2R,4S,5S)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-6-phenylhexanoyl]amino]-4-methylpentanoic acid
CID 70065298
(2S,4S,5S)-2-benzyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid
CID 10070341
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 152848453
chloromethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986414

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid?
The IUPAC name of (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid (CID 18655473) is (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid.
What is the SMILES notation for (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid?
The canonical SMILES for (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)[C@@H](Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid?
The InChIKey is NYWJVESUOHCOGQ-SMIHKQSGSA-N. The full InChI is InChI=1S/C27H31NO5/c1-27(2,3)33-26(32)28-23(17-18-9-5-4-6-10-18)24(29)22(25(30)31)16-19-13-14-20-11-7-8-12-21(20)15-19/h4-15,22-24,29H,16-17H2,1-3H3,(H,28,32)(H,30,31)/t22-,23-,24+/m1/s1.
What are the key properties of (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid?
(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid has a molecular weight of 449.55 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid is sourced from PubChem (CID 18655473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).