(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid

C13H23N3O4 — CID 63996158

IUPAC(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(CC1CC1)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-2-9(7-8-3-4-8)15-13(20)16-10(12(18)19)5-6-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t9?,10-/m0/s1
InChIKeyASWRQNMUEBSJGQ-AXDSSHIGSA-N
MW285.34 g/mol
LogP0.58
Rot. Bonds9

About (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 63996158) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID63996158
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(CC1CC1)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-2-9(7-8-3-4-8)15-13(20)16-10(12(18)19)5-6-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t9?,10-/m0/s1
InChIKeyASWRQNMUEBSJGQ-AXDSSHIGSA-N
XLogP0.58
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 63994181
(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830928
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
CID 113363508
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid (CID 63996158) is (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid is CCC(CC1CC1)NC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is ASWRQNMUEBSJGQ-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-9(7-8-3-4-8)15-13(20)16-10(12(18)19)5-6-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t9?,10-/m0/s1.
What are the key properties of (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.58, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 63996158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).