2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid

C8H14N2O4 — CID 22152590

IUPAC2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
SMILESCC(C=O)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-5(4-11)10-7(12)3-2-6(9)8(13)14/h4-6H,2-3,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyUKVWHODWYJBLHM-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.12
Rot. Bonds6

About 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid

2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid (PubChem CID 22152590) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
PubChem CID22152590
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
SMILESCC(C=O)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-5(4-11)10-7(12)3-2-6(9)8(13)14/h4-6H,2-3,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyUKVWHODWYJBLHM-UHFFFAOYSA-N
XLogP-1.12
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 91809514
(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
CID 102494757
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
CID 173443479
(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-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
CID 155057842
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid?
The IUPAC name of 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid (CID 22152590) is 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid is CC(C=O)NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid?
The InChIKey is UKVWHODWYJBLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(4-11)10-7(12)3-2-6(9)8(13)14/h4-6H,2-3,9H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid?
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 22152590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).