(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid

C12H24N2O3 — CID 107565990

IUPAC(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
SMILESCCCCN(CC)C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-7-9-14(6-3)12(17)13-10(8-5-2)11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyOCTMURNISCJEST-SNVBAGLBSA-N
MW244.33 g/mol
LogP2.07
Rot. Bonds8

About (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid (PubChem CID 107565990) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
PubChem CID107565990
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
SMILESCCCCN(CC)C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-7-9-14(6-3)12(17)13-10(8-5-2)11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyOCTMURNISCJEST-SNVBAGLBSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[butyl(ethyl)carbamoyl]amino]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

2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
CID 61185545
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 54988162
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 107567246
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
CID 61447464
(2S)-2-[[ethyl(propyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61195653
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid (CID 107565990) is (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid is CCCCN(CC)C(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is OCTMURNISCJEST-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-7-9-14(6-3)12(17)13-10(8-5-2)11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107565990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).