2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid

C12H24N2O3 — CID 61196445

IUPAC2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N(C)C(C)CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-8(3)10(11(15)16)13-12(17)14(5)9(4)7-2/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyRDDNWYVZUMNBQT-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds6

About 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid

2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid (PubChem CID 61196445) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
PubChem CID61196445
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N(C)C(C)CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-8(3)10(11(15)16)13-12(17)14(5)9(4)7-2/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyRDDNWYVZUMNBQT-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic 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,3S)-3-methyl-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 61203270
(2S)-2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 55009602
(2S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61197208
(2S,3S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61199474
2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61197961
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylpentanoic acid
CID 61234317
(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
CID 62923883
(2S)-2-(dibutylcarbamoylamino)-3-methylpentanoic acid
CID 61185893
(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 61199113
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196193
(2S,3S)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3-methylpentanoic acid
CID 102995394
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid (CID 61196445) is 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)N(C)C(C)CC)C(=O)O.
What is the InChIKey of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
The InChIKey is RDDNWYVZUMNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-8(3)10(11(15)16)13-12(17)14(5)9(4)7-2/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 61196445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).