4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid

C7H14N2O4 — CID 103238903

IUPAC4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
SMILESCC(NCC(O)CC(=O)O)C(N)=O
InChIInChI=1S/C7H14N2O4/c1-4(7(8)13)9-3-5(10)2-6(11)12/h4-5,9-10H,2-3H2,1H3,(H2,8,13)(H,11,12)
InChIKeyRNOJVDZXPAXQGF-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.71
Rot. Bonds6

About 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid

4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid (PubChem CID 103238903) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
PubChem CID103238903
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
SMILESCC(NCC(O)CC(=O)O)C(N)=O
InChIInChI=1S/C7H14N2O4/c1-4(7(8)13)9-3-5(10)2-6(11)12/h4-5,9-10H,2-3H2,1H3,(H2,8,13)(H,11,12)
InChIKeyRNOJVDZXPAXQGF-UHFFFAOYSA-N
XLogP-1.71
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
CID 106178077
3-hydroxy-4-(1-methylsulfanylpropan-2-ylamino)butanoic acid
CID 103266131
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
CID 103265692
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
3-amino-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoic acid;hydrate
CID 21447998
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid (CID 103238903) is 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid is CC(NCC(O)CC(=O)O)C(N)=O.
What is the InChIKey of 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid?
The InChIKey is RNOJVDZXPAXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(7(8)13)9-3-5(10)2-6(11)12/h4-5,9-10H,2-3H2,1H3,(H2,8,13)(H,11,12).
What are the key properties of 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid?
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 103238903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).