4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 79525505

IUPAC4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CNC1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c16-12(5-10-6-14-7-10)15-8-9-1-3-11(4-2-9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyMVQBLJTZCQEIKZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.60
Rot. Bonds5

About 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525505) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525505
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CNC1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c16-12(5-10-6-14-7-10)15-8-9-1-3-11(4-2-9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyMVQBLJTZCQEIKZ-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526283
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 142509197
4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
2-(azetidin-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418381
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
4-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525181

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79525505) is 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(CC1CNC1)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MVQBLJTZCQEIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(5-10-6-14-7-10)15-8-9-1-3-11(4-2-9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).