(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid

C10H19N3O5 — CID 114176530

IUPAC(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC(C)C(NC(=O)N[C@H](CCO)C(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O5/c1-5(2)7(8(11)15)13-10(18)12-6(3-4-14)9(16)17/h5-7,14H,3-4H2,1-2H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t6-,7?/m1/s1
InChIKeyCZOFVSNXDGJQRZ-ULUSZKPHSA-N
MW261.28 g/mol
LogP-1.37
Rot. Bonds7

About (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 114176530) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID114176530
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC(C)C(NC(=O)N[C@H](CCO)C(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O5/c1-5(2)7(8(11)15)13-10(18)12-6(3-4-14)9(16)17/h5-7,14H,3-4H2,1-2H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t6-,7?/m1/s1
InChIKeyCZOFVSNXDGJQRZ-ULUSZKPHSA-N
XLogP-1.37
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 106346749
(2R)-4-hydroxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 107827176
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 106346582
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
2-(but-3-yn-2-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 114418413
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322
(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 107828128
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114176518

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid (CID 114176530) is (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid is CC(C)C(NC(=O)N[C@H](CCO)C(=O)O)C(N)=O.
What is the InChIKey of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is CZOFVSNXDGJQRZ-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-5(2)7(8(11)15)13-10(18)12-6(3-4-14)9(16)17/h5-7,14H,3-4H2,1-2H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t6-,7?/m1/s1.
What are the key properties of (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.37, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114176530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).