(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid

C10H17NO3 — CID 103249222

IUPAC(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
SMILESO=C(O)/C=C/CNC1(CO)CCCC1
InChIInChI=1S/C10H17NO3/c12-8-10(5-1-2-6-10)11-7-3-4-9(13)14/h3-4,11-12H,1-2,5-8H2,(H,13,14)/b4-3+
InChIKeyHVPDFQWJNTWLKV-ONEGZZNKSA-N
MW199.25 g/mol
LogP0.52
Rot. Bonds5

About (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid

(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid (PubChem CID 103249222) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
PubChem CID103249222
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
SMILESO=C(O)/C=C/CNC1(CO)CCCC1
InChIInChI=1S/C10H17NO3/c12-8-10(5-1-2-6-10)11-7-3-4-9(13)14/h3-4,11-12H,1-2,5-8H2,(H,13,14)/b4-3+
InChIKeyHVPDFQWJNTWLKV-ONEGZZNKSA-N
XLogP0.52
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 ≤ 50.52
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

[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
CID 107899292
4-[[1-(hydroxymethyl)cyclohexyl]amino]-4-oxobut-2-enoic acid
CID 76946471
(E)-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-oxobut-2-enoic acid
CID 103965499
(E)-4-[[1-(dimethylamino)cyclobutyl]methylamino]but-2-enoic acid
CID 103268943
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid
CID 103249131
1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid
CID 45082142
(E)-4-(2-methoxyethoxyamino)but-2-enoic acid
CID 103261688
4-(1-formylcyclohexyl)but-2-enoic acid
CID 123160535
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
[1-(2-fluoroethylamino)cyclohexyl]methanol
CID 80694044
[1-(hept-6-enylamino)cyclohexyl]methanol
CID 107006791

Frequently Asked Questions

What is the IUPAC name of (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
The IUPAC name of (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid (CID 103249222) is (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid.
What is the SMILES notation for (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
The canonical SMILES for (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid is O=C(O)/C=C/CNC1(CO)CCCC1.
What is the InChIKey of (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
The InChIKey is HVPDFQWJNTWLKV-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NO3/c12-8-10(5-1-2-6-10)11-7-3-4-9(13)14/h3-4,11-12H,1-2,5-8H2,(H,13,14)/b4-3+.
What are the key properties of (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid is sourced from PubChem (CID 103249222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).