2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid

C10H17NO3 — CID 103255182

IUPAC2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCC1CCCC1O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7(10(13)14)5-11-6-8-3-2-4-9(8)12/h8-9,11-12H,1-6H2,(H,13,14)
InChIKeyUBHNPVPSMJVRCR-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.38
Rot. Bonds5

About 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid

2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid (PubChem CID 103255182) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid
PubChem CID103255182
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCC1CCCC1O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7(10(13)14)5-11-6-8-3-2-4-9(8)12/h8-9,11-12H,1-6H2,(H,13,14)
InChIKeyUBHNPVPSMJVRCR-UHFFFAOYSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 115328361
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813
5-[(2-hydroxycyclopentyl)methylamino]pentanoic acid
CID 103255157
2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 119795423
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 64913466
2-amino-3-[(2-hydroxycyclopentyl)methylamino]propanamide
CID 103255185
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
CID 166414598
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
2-[(2-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)acetamide
CID 64911376

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid (CID 103255182) is 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid is C=C(CNCC1CCCC1O)C(=O)O.
What is the InChIKey of 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid?
The InChIKey is UBHNPVPSMJVRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(10(13)14)5-11-6-8-3-2-4-9(8)12/h8-9,11-12H,1-6H2,(H,13,14).
What are the key properties of 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid?
2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxycyclopentyl)methylamino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103255182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).