2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid

C11H19NO3 — CID 103260331

IUPAC2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCC1(CO)CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-9(10(14)15)6-12-7-11(8-13)4-2-3-5-11/h12-13H,1-8H2,(H,14,15)
InChIKeySPSNRFBGUGBNAV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.77
Rot. Bonds6

About 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid

2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid (PubChem CID 103260331) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid
PubChem CID103260331
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCC1(CO)CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-9(10(14)15)6-12-7-11(8-13)4-2-3-5-11/h12-13H,1-8H2,(H,14,15)
InChIKeySPSNRFBGUGBNAV-UHFFFAOYSA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid (CID 103260331) is 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid is C=C(CNCC1(CO)CCCC1)C(=O)O.
What is the InChIKey of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid?
The InChIKey is SPSNRFBGUGBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(10(14)15)6-12-7-11(8-13)4-2-3-5-11/h12-13H,1-8H2,(H,14,15).
What are the key properties of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid?
2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103260331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).