2-[(2-hydroxycyclohexyl)amino]acetic acid

C8H15NO3 — CID 60886714

IUPAC2-[(2-hydroxycyclohexyl)amino]acetic acid
SMILESO=C(O)CNC1CCCCC1O
InChIInChI=1S/C8H15NO3/c10-7-4-2-1-3-6(7)9-5-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyJCQXAVGQGFWHAY-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(2-hydroxycyclohexyl)amino]acetic acid

2-[(2-hydroxycyclohexyl)amino]acetic acid (PubChem CID 60886714) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)amino]acetic acid
PubChem CID60886714
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(2-hydroxycyclohexyl)amino]acetic acid
SMILESO=C(O)CNC1CCCCC1O
InChIInChI=1S/C8H15NO3/c10-7-4-2-1-3-6(7)9-5-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyJCQXAVGQGFWHAY-UHFFFAOYSA-N
XLogP-0.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid
CID 18528605
N-ethyl-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]acetamide
CID 93346249
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-[(2-hydroxycyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 62360034
N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
CID 113394731
4-[(2-hydroxycycloheptyl)amino]-2-methylbut-2-enoic acid
CID 103262912
N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
CID 96885494
2-(cyclopropylamino)acetic acid
CID 21197388
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
CID 103249845

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)amino]acetic acid (CID 60886714) is 2-[(2-hydroxycyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)amino]acetic acid is O=C(O)CNC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)amino]acetic acid?
The InChIKey is JCQXAVGQGFWHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-7-4-2-1-3-6(7)9-5-8(11)12/h6-7,9-10H,1-5H2,(H,11,12).
What are the key properties of 2-[(2-hydroxycyclohexyl)amino]acetic acid?
2-[(2-hydroxycyclohexyl)amino]acetic acid has a molecular weight of 173.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)amino]acetic acid is sourced from PubChem (CID 60886714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).