4-[amino(hydroxy)methyl]pent-4-enoic acid

C6H11NO3 — CID 129291308

IUPAC4-[amino(hydroxy)methyl]pent-4-enoic acid
SMILESC=C(CCC(=O)O)C(N)O
InChIInChI=1S/C6H11NO3/c1-4(6(7)10)2-3-5(8)9/h6,10H,1-3,7H2,(H,8,9)
InChIKeyRVWOBJPQTXCAOT-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.32
Rot. Bonds4

About 4-[amino(hydroxy)methyl]pent-4-enoic acid

4-[amino(hydroxy)methyl]pent-4-enoic acid (PubChem CID 129291308) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-[amino(hydroxy)methyl]pent-4-enoic acid.

Molecular Properties

Compound Name4-[amino(hydroxy)methyl]pent-4-enoic acid
PubChem CID129291308
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-[amino(hydroxy)methyl]pent-4-enoic acid
SMILESC=C(CCC(=O)O)C(N)O
InChIInChI=1S/C6H11NO3/c1-4(6(7)10)2-3-5(8)9/h6,10H,1-3,7H2,(H,8,9)
InChIKeyRVWOBJPQTXCAOT-UHFFFAOYSA-N
XLogP-0.32
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxypent-4-enoic acid
CID 19591824
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;ethene
CID 87532899
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
4-(3-hydroxy-4-methyl-2-oxopent-4-enoxy)-4-oxobutanoic acid
CID 57146164
butanedioic acid;fluoroform
CID 159416748

Frequently Asked Questions

What is the IUPAC name of 4-[amino(hydroxy)methyl]pent-4-enoic acid?
The IUPAC name of 4-[amino(hydroxy)methyl]pent-4-enoic acid (CID 129291308) is 4-[amino(hydroxy)methyl]pent-4-enoic acid.
What is the SMILES notation for 4-[amino(hydroxy)methyl]pent-4-enoic acid?
The canonical SMILES for 4-[amino(hydroxy)methyl]pent-4-enoic acid is C=C(CCC(=O)O)C(N)O.
What is the InChIKey of 4-[amino(hydroxy)methyl]pent-4-enoic acid?
The InChIKey is RVWOBJPQTXCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(7)10)2-3-5(8)9/h6,10H,1-3,7H2,(H,8,9).
What are the key properties of 4-[amino(hydroxy)methyl]pent-4-enoic acid?
4-[amino(hydroxy)methyl]pent-4-enoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(hydroxy)methyl]pent-4-enoic acid is sourced from PubChem (CID 129291308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).