(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid

C7H13N3O5 — CID 107837805

IUPAC(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESNC(=O)CNC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-5(12)3-10-7(15)9-2-1-4(11)6(13)14/h4,11H,1-3H2,(H2,8,12)(H,13,14)(H2,9,10,15)/t4-/m0/s1
InChIKeyGSWCPTCIQCFKOW-BYPYZUCNSA-N
MW219.20 g/mol
LogP-2.39
Rot. Bonds6

About (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid

(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107837805) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107837805
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESNC(=O)CNC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-5(12)3-10-7(15)9-2-1-4(11)6(13)14/h4,11H,1-3H2,(H2,8,12)(H,13,14)(H2,9,10,15)/t4-/m0/s1
InChIKeyGSWCPTCIQCFKOW-BYPYZUCNSA-N
XLogP-2.39
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-2.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(2-chloroprop-2-enylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841019
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107838516
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
(2S)-4-(but-3-ynylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840086
(2S)-4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839483
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840202
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107837805) is (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid is NC(=O)CNC(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is GSWCPTCIQCFKOW-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13N3O5/c8-5(12)3-10-7(15)9-2-1-4(11)6(13)14/h4,11H,1-3H2,(H2,8,12)(H,13,14)(H2,9,10,15)/t4-/m0/s1.
What are the key properties of (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid?
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 219.20 g/mol, XLogP of -2.39, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107837805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).