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

C10H18N2O3 — CID 43445727

IUPAC2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
SMILESCC1CCCC(NC(=O)NCC(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-7-3-2-4-8(5-7)12-10(15)11-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyCUWNKTCRYJXWEU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.95
Rot. Bonds3

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

2-[(3-methylcyclohexyl)carbamoylamino]acetic acid (PubChem CID 43445727) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
PubChem CID43445727
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
SMILESCC1CCCC(NC(=O)NCC(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-7-3-2-4-8(5-7)12-10(15)11-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyCUWNKTCRYJXWEU-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate
CID 43445728
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 131076439
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
(3-methylcyclohexyl)carbamic acid
CID 67410451
2-[[(3-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 65223457
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462
2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61198953
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcycloheptyl)carbamic acid
CID 143291001
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114548909

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid (CID 43445727) is 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid is CC1CCCC(NC(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid?
The InChIKey is CUWNKTCRYJXWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-3-2-4-8(5-7)12-10(15)11-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[(3-methylcyclohexyl)carbamoylamino]acetic acid?
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.95, 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]acetic acid is sourced from PubChem (CID 43445727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).