2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid

C10H20N2O3 — CID 104682853

IUPAC2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)NC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)12-10(15)11-6-4-5-8(3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyKTFQZSQNMSCVBC-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds6

About 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid

2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 104682853) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
PubChem CID104682853
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)NC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)12-10(15)11-6-4-5-8(3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyKTFQZSQNMSCVBC-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
2-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 104686435
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
2-methyl-5-(1-thiophen-2-ylethylcarbamoylamino)pentanoic acid
CID 104686244
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid (CID 104682853) is 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid is CC(C)NC(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is KTFQZSQNMSCVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)12-10(15)11-6-4-5-8(3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid?
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 104682853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).