(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid

C10H20N2O3 — CID 107565859

IUPAC(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)CC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6-8(9(13)14)12-10(15)11-7(3)5-2/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m0/s1
InChIKeyVEPXIJVRTQEPMQ-MQWKRIRWSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds6

About (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid

(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 107565859) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
PubChem CID107565859
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)CC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6-8(9(13)14)12-10(15)11-7(3)5-2/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m0/s1
InChIKeyVEPXIJVRTQEPMQ-MQWKRIRWSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566478
(2S)-2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566498
(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
CID 107565974
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433
(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid
CID 107567629
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid
CID 104864315
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid (CID 107565859) is (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid is CCC[C@H](NC(=O)NC(C)CC)C(=O)O.
What is the InChIKey of (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is VEPXIJVRTQEPMQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-6-8(9(13)14)12-10(15)11-7(3)5-2/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid?
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107565859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).