(2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid

C23H28N2O5 — CID 70084837

IUPAC(2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(CCNC(=O)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H28N2O5/c1-16(2)15-19(22(27)28)25(23(29)30)14-13-24-21(26)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)/t19-/m0/s1
InChIKeyHLYWUXNRBHBWNR-IBGZPJMESA-N
MW412.49 g/mol
LogP3.41
Rot. Bonds10

About (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid

(2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid (PubChem CID 70084837) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid
PubChem CID70084837
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(CCNC(=O)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H28N2O5/c1-16(2)15-19(22(27)28)25(23(29)30)14-13-24-21(26)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)/t19-/m0/s1
InChIKeyHLYWUXNRBHBWNR-IBGZPJMESA-N
XLogP3.41
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[carboxy-[3-(3-phenylpropanoylamino)propyl]amino]-4-methylpentanoic acid
CID 70087530
2-[carboxy-[2-[(3,4-dichlorobenzoyl)amino]ethyl]amino]-4-methylpentanoic acid
CID 22143949
2-[carboxy-[2-[(3-methoxybenzoyl)amino]ethyl]amino]-4-methylpentanoic acid
CID 22143921
(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
CID 11744070
2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate
CID 108570960
N-[2-[bis(2-phenylacetyl)amino]ethyl]-2,2-diphenylacetamide
CID 22301107
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,2-diphenylacetamide
CID 113053537
N-but-3-ynyl-2,2-diphenylacetamide
CID 90537904
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593
N-dodecyl-2,2-diphenylacetamide
CID 5143289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid (CID 70084837) is (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N(CCNC(=O)C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid?
The InChIKey is HLYWUXNRBHBWNR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O5/c1-16(2)15-19(22(27)28)25(23(29)30)14-13-24-21(26)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)/t19-/m0/s1.
What are the key properties of (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid?
(2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid has a molecular weight of 412.49 g/mol, XLogP of 3.41, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 70084837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).