(E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid

C10H17NO3 — CID 103255166

IUPAC(E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid
SMILESO=C(O)/C=C/CNCC1CCCC1O
InChIInChI=1S/C10H17NO3/c12-9-4-1-3-8(9)7-11-6-2-5-10(13)14/h2,5,8-9,11-12H,1,3-4,6-7H2,(H,13,14)/b5-2+
InChIKeyDVEMRIINRSHRKX-GORDUTHDSA-N
MW199.25 g/mol
LogP0.38
Rot. Bonds5

About (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid

(E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid (PubChem CID 103255166) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid
PubChem CID103255166
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid
SMILESO=C(O)/C=C/CNCC1CCCC1O
InChIInChI=1S/C10H17NO3/c12-9-4-1-3-8(9)7-11-6-2-5-10(13)14/h2,5,8-9,11-12H,1,3-4,6-7H2,(H,13,14)/b5-2+
InChIKeyDVEMRIINRSHRKX-GORDUTHDSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid?
The IUPAC name of (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid (CID 103255166) is (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid.
What is the SMILES notation for (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid?
The canonical SMILES for (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid is O=C(O)/C=C/CNCC1CCCC1O.
What is the InChIKey of (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid?
The InChIKey is DVEMRIINRSHRKX-GORDUTHDSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9-4-1-3-8(9)7-11-6-2-5-10(13)14/h2,5,8-9,11-12H,1,3-4,6-7H2,(H,13,14)/b5-2+.
What are the key properties of (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid?
(E)-4-[(2-hydroxycyclopentyl)methylamino]but-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 (E)-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoic acid is sourced from PubChem (CID 103255166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).