2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid

C11H20N2O3 — CID 61198953

IUPAC2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1CCCC(NC(=O)NC(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-4-3-5-9(6-7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyVBHRGHCDQHFZIK-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds3

About 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid

2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid (PubChem CID 61198953) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
PubChem CID61198953
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1CCCC(NC(=O)NC(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-4-3-5-9(6-7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyVBHRGHCDQHFZIK-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462
(2R)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 79009025
(2S)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65471471
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
(3-methylcyclohexyl)carbamic acid
CID 67410451
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
(3-methylcycloheptyl)carbamic acid
CID 143291001
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 131076439
(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
CID 104937666

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid (CID 61198953) is 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid is CC1CCCC(NC(=O)NC(C)C(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid?
The InChIKey is VBHRGHCDQHFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-4-3-5-9(6-7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid?
2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61198953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).