(2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid

C14H21N3O4 — CID 123372738

IUPAC(2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid
SMILESNCC(C[C@H](N)C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H21N3O4/c15-8-10(7-11(16)13(18)19)17-12(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-12,17H,6-8,15-16H2,(H,18,19)(H,20,21)/t10?,11-,12-/m0/s1
InChIKeyJRXUOHOITXKDRG-RAMGSTBQSA-N
MW295.34 g/mol
LogP-0.60
Rot. Bonds9

About (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid

(2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid (PubChem CID 123372738) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid
PubChem CID123372738
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid
SMILESNCC(C[C@H](N)C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H21N3O4/c15-8-10(7-11(16)13(18)19)17-12(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-12,17H,6-8,15-16H2,(H,18,19)(H,20,21)/t10?,11-,12-/m0/s1
InChIKeyJRXUOHOITXKDRG-RAMGSTBQSA-N
XLogP-0.60
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid
CID 11949370
2-amino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
CID 67821548
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-[[(2S)-1-amino-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 68835809
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
CID 122037947
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid?
The IUPAC name of (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid (CID 123372738) is (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid is NCC(C[C@H](N)C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid?
The InChIKey is JRXUOHOITXKDRG-RAMGSTBQSA-N. The full InChI is InChI=1S/C14H21N3O4/c15-8-10(7-11(16)13(18)19)17-12(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-12,17H,6-8,15-16H2,(H,18,19)(H,20,21)/t10?,11-,12-/m0/s1.
What are the key properties of (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid?
(2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid has a molecular weight of 295.34 g/mol, XLogP of -0.60, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoic acid is sourced from PubChem (CID 123372738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).