2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid

C11H20N2O3 — CID 103995941

IUPAC2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCC1CC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(10(14)15)13-11(16)12-6-8-5-7(8)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyARBFTDPMMQKFNJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.19
Rot. Bonds6

About 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid

2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid (PubChem CID 103995941) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid
PubChem CID103995941
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCC1CC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(10(14)15)13-11(16)12-6-8-5-7(8)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyARBFTDPMMQKFNJ-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methoxy-2-[(2-methylcyclopropyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 104860995
(2S)-2-(thian-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567647
(2R)-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567009
2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
2-[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]pentanoic acid
CID 81040665
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
CID 107567632
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid (CID 103995941) is 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid is CCCC(NC(=O)NCC1CC1C)C(=O)O.
What is the InChIKey of 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is ARBFTDPMMQKFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-9(10(14)15)13-11(16)12-6-8-5-7(8)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid?
2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 228.29 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-methylcyclopropyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 103995941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).