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

C10H19N3O5 — CID 107839189

IUPAC(2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid
SMILESCC(C)N(CC(N)=O)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-6(2)13(5-8(11)15)10(18)12-4-3-7(14)9(16)17/h6-7,14H,3-5H2,1-2H3,(H2,11,15)(H,12,18)(H,16,17)/t7-/m0/s1
InChIKeyWXLMZASDDSQCMJ-ZETCQYMHSA-N
MW261.28 g/mol
LogP-1.27
Rot. Bonds7

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

(2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107839189) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107839189
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid
SMILESCC(C)N(CC(N)=O)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-6(2)13(5-8(11)15)10(18)12-4-3-7(14)9(16)17/h6-7,14H,3-5H2,1-2H3,(H2,11,15)(H,12,18)(H,16,17)/t7-/m0/s1
InChIKeyWXLMZASDDSQCMJ-ZETCQYMHSA-N
XLogP-1.27
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107839320
4-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007357
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-2-hydroxy-4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 114007355
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 66168049
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
(2S)-2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 107839292
1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
(2S)-4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839988

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid (CID 107839189) is (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid is CC(C)N(CC(N)=O)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is WXLMZASDDSQCMJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-6(2)13(5-8(11)15)10(18)12-4-3-7(14)9(16)17/h6-7,14H,3-5H2,1-2H3,(H2,11,15)(H,12,18)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).