(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid

C30H30N2O3 — CID 175552755

IUPAC(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)Cc1ccccc1
InChIInChI=1S/C30H30N2O3/c33-29(20-24-15-16-25-13-7-8-14-26(25)17-24)32-27(18-22-9-3-1-4-10-22)21-31-28(30(34)35)19-23-11-5-2-6-12-23/h1-17,27-28,31H,18-21H2,(H,32,33)(H,34,35)/t27-,28-/m0/s1
InChIKeyHTLBXIYYUVHVDJ-NSOVKSMOSA-N
MW466.58 g/mol
LogP4.40
Rot. Bonds11

About (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid

(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid (PubChem CID 175552755) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid
PubChem CID175552755
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)Cc1ccccc1
InChIInChI=1S/C30H30N2O3/c33-29(20-24-15-16-25-13-7-8-14-26(25)17-24)32-27(18-22-9-3-1-4-10-22)21-31-28(30(34)35)19-23-11-5-2-6-12-23/h1-17,27-28,31H,18-21H2,(H,32,33)(H,34,35)/t27-,28-/m0/s1
InChIKeyHTLBXIYYUVHVDJ-NSOVKSMOSA-N
XLogP4.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
(2S)-2-[[(2R)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid
CID 102336566
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
3-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-2-oxobutanamide
CID 138480869
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
(2R)-3-phenyl-2-[[2-(2-phenyl-1-benzofuran-5-yl)acetyl]amino]propanoic acid
CID 91090648
methyl (2R)-3-(4-hydroxyphenyl)-2-[[(2R)-2-[[(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 132525825
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid (CID 175552755) is (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid is O=C(Cc1ccc2ccccc2c1)N[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)Cc1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid?
The InChIKey is HTLBXIYYUVHVDJ-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H30N2O3/c33-29(20-24-15-16-25-13-7-8-14-26(25)17-24)32-27(18-22-9-3-1-4-10-22)21-31-28(30(34)35)19-23-11-5-2-6-12-23/h1-17,27-28,31H,18-21H2,(H,32,33)(H,34,35)/t27-,28-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid?
(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid has a molecular weight of 466.58 g/mol, XLogP of 4.40, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 175552755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).