(2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid

C18H25NO6 — CID 70063587

IUPAC(2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid
SMILESCOC(=O)N(CCCC(C(=O)O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19(16(22)24-4)12-8-11-14(15(20)21)13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,20,21)
InChIKeyUYRLOHZWHFKSJY-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.64
Rot. Bonds6

About (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid

(2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid (PubChem CID 70063587) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid.

Molecular Properties

Compound Name(2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid
PubChem CID70063587
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name(2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid
SMILESCOC(=O)N(CCCC(C(=O)O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19(16(22)24-4)12-8-11-14(15(20)21)13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,20,21)
InChIKeyUYRLOHZWHFKSJY-UHFFFAOYSA-N
XLogP3.64
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
CID 11231294
7-methyl-2-phenyloctanoic acid
CID 83162771
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)butanoic acid
CID 175539402
methyl (2S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpropanoate
CID 134924895
5-hydroxy-2-phenylpentanoic acid
CID 79006638
2-amino-4-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 91199963
3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
CID 175494223
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 172791429
methyl 2-phenylheptanoate
CID 143443478
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
5-[(2-methoxycarbonylthiophen-3-yl)amino]-2-phenylpentanoic acid
CID 123183728
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid?
The IUPAC name of (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid (CID 70063587) is (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid.
What is the SMILES notation for (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid?
The canonical SMILES for (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid is COC(=O)N(CCCC(C(=O)O)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid?
The InChIKey is UYRLOHZWHFKSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19(16(22)24-4)12-8-11-14(15(20)21)13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,20,21).
What are the key properties of (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid?
(2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid has a molecular weight of 351.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpentanoic acid is sourced from PubChem (CID 70063587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).