(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid

C8H16N2O3 — CID 56997535

IUPAC(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
SMILESCCCC(N[C@@H](C)C(=O)O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-6(7(9)11)10-5(2)8(12)13/h5-6,10H,3-4H2,1-2H3,(H2,9,11)(H,12,13)/t5-,6?/m0/s1
InChIKeyIVZAXCFCVYHJJX-ZBHICJROSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds6

About (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid

(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid (PubChem CID 56997535) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
PubChem CID56997535
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
SMILESCCCC(N[C@@H](C)C(=O)O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-6(7(9)11)10-5(2)8(12)13/h5-6,10H,3-4H2,1-2H3,(H2,9,11)(H,12,13)/t5-,6?/m0/s1
InChIKeyIVZAXCFCVYHJJX-ZBHICJROSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
2-(1-fluorobutylamino)propanoic acid
CID 87722043
2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
CID 106174583
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
2-acetamidopentanamide
CID 23273489
CID 159174397
CID 159174397
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-(hexan-3-ylamino)-3-hydroxypropanamide
CID 138623238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid (CID 56997535) is (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid is CCCC(N[C@@H](C)C(=O)O)C(N)=O.
What is the InChIKey of (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid?
The InChIKey is IVZAXCFCVYHJJX-ZBHICJROSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-4-6(7(9)11)10-5(2)8(12)13/h5-6,10H,3-4H2,1-2H3,(H2,9,11)(H,12,13)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid?
(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid is sourced from PubChem (CID 56997535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).