2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid

C13H24N2O3 — CID 79350424

IUPAC2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-6-7-8(9(16)17)14-11(18)15-10-12(2,3)13(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyHABPTVBACRCQFI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds5

About 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid

2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid (PubChem CID 79350424) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
PubChem CID79350424
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-6-7-8(9(16)17)14-11(18)15-10-12(2,3)13(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyHABPTVBACRCQFI-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
CID 79350248
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 107146287
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid (CID 79350424) is 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid is CCCC(NC(=O)NC1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
The InChIKey is HABPTVBACRCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-7-8(9(16)17)14-11(18)15-10-12(2,3)13(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 79350424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).