2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid

C13H23NO4 — CID 113354338

IUPAC2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
SMILESCOC(C)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23NO4/c1-10(18-2)12(17)14-9-13(8-11(15)16)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyCSASMKZEVVASHW-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds6

About 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid

2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid (PubChem CID 113354338) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
PubChem CID113354338
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
SMILESCOC(C)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23NO4/c1-10(18-2)12(17)14-9-13(8-11(15)16)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyCSASMKZEVVASHW-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
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CID 82984628
2-[1-[[[(2R)-4-methyl-3-oxopentan-2-yl]oxycarbonylamino]methyl]cyclohexyl]acetic acid
CID 66863907
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
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(3S)-3-amino-4-[[1-(carboxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 90738461
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994
2-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742368
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-[1-(methoxymethyl)cyclohexyl]acetic acid
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2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid (CID 113354338) is 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid is COC(C)C(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is CSASMKZEVVASHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(18-2)12(17)14-9-13(8-11(15)16)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 113354338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).