2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

C15H26N2O3 — CID 43656905

IUPAC2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC1CCCCC1NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-2-3-5-13(11)16-14(18)9-17(10-15(19)20)8-12-6-7-12/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyFFRVMBAXICKFQC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds7

About 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43656905) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43656905
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC1CCCCC1NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-2-3-5-13(11)16-14(18)9-17(10-15(19)20)8-12-6-7-12/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyFFRVMBAXICKFQC-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465971
2-[carboxymethyl-[(2-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 63644996
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate
CID 62026217
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 95345385
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
CID 124623956

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (CID 43656905) is 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is CC1CCCCC1NC(=O)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is FFRVMBAXICKFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-4-2-3-5-13(11)16-14(18)9-17(10-15(19)20)8-12-6-7-12/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43656905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).