2-(2-methylpropylcarbamoylamino)pentanoic acid

C10H20N2O3 — CID 16790600

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

About 2-(2-methylpropylcarbamoylamino)pentanoic acid

2-(2-methylpropylcarbamoylamino)pentanoic acid (PubChem CID 16790600) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-methylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-methylpropylcarbamoylamino)pentanoic acid
PubChem CID16790600
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(2-methylpropylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCC(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-8(9(13)14)12-10(15)11-6-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyCESWNKVPXSBZQI-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

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Related Compounds

(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206
2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 63957961
4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
CID 55055578
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
(2S)-2-(2-methylbutylcarbamoylamino)hexanoic acid
CID 107146017
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2S)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 107565891
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(2-methylpropylcarbamoylamino)pentanoic acid (CID 16790600) is 2-(2-methylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(2-methylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(2-methylpropylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methylpropylcarbamoylamino)pentanoic acid?
The InChIKey is CESWNKVPXSBZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-8(9(13)14)12-10(15)11-6-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2-methylpropylcarbamoylamino)pentanoic acid?
2-(2-methylpropylcarbamoylamino)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-(2-methylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 16790600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).