(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid

C10H19N3O5 — CID 106279185

IUPAC(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC(C)(CNC(=O)N[C@@H](CCO)C(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O5/c1-10(2,8(11)17)5-12-9(18)13-6(3-4-14)7(15)16/h6,14H,3-5H2,1-2H3,(H2,11,17)(H,15,16)(H2,12,13,18)/t6-/m0/s1
InChIKeyOFFZBYLFLZMLSI-LURJTMIESA-N
MW261.28 g/mol
LogP-1.37
Rot. Bonds7

About (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid

(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 106279185) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID106279185
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC(C)(CNC(=O)N[C@@H](CCO)C(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O5/c1-10(2,8(11)17)5-12-9(18)13-6(3-4-14)7(15)16/h6,14H,3-5H2,1-2H3,(H2,11,17)(H,15,16)(H2,12,13,18)/t6-/m0/s1
InChIKeyOFFZBYLFLZMLSI-LURJTMIESA-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-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid
CID 106279260
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322
(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 107823851
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557
(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid
CID 107827881
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330722
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid (CID 106279185) is (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid is CC(C)(CNC(=O)N[C@@H](CCO)C(=O)O)C(N)=O.
What is the InChIKey of (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is OFFZBYLFLZMLSI-LURJTMIESA-N. The full InChI is InChI=1S/C10H19N3O5/c1-10(2,8(11)17)5-12-9(18)13-6(3-4-14)7(15)16/h6,14H,3-5H2,1-2H3,(H2,11,17)(H,15,16)(H2,12,13,18)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid?
(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)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 (2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 106279185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).