(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid

C9H16N2O5 — CID 129361384

IUPAC(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
SMILESCC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m0/s1
InChIKeyFUZOZPRKGAXGOB-NTSWFWBYSA-N
MW232.24 g/mol
LogP-0.84
Rot. Bonds7

About (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid (PubChem CID 129361384) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
PubChem CID129361384
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
SMILESCC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m0/s1
InChIKeyFUZOZPRKGAXGOB-NTSWFWBYSA-N
XLogP-0.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
(2R)-2-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 71728417
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
(2S)-2-amino-5-[[(1R)-2-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 14253338
2-[(4-amino-5-oxohexanoyl)amino]butanedioic acid
CID 58892230
(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]hex-4-ynoic acid
CID 163193438
2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
CID 87554672

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid (CID 129361384) is (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid is CC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid?
The InChIKey is FUZOZPRKGAXGOB-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.84, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 129361384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).