(4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid

C8H13NO3 — CID 89012099

IUPAC(4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid
SMILESN[C@@H](CCC(=O)O)C(O)=C1CC1
InChIInChI=1S/C8H13NO3/c9-6(3-4-7(10)11)8(12)5-1-2-5/h6,12H,1-4,9H2,(H,10,11)/t6-/m0/s1
InChIKeyWUPRMBSRDIRYII-LURJTMIESA-N
MW171.20 g/mol
LogP0.78
Rot. Bonds4

About (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid

(4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid (PubChem CID 89012099) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid
PubChem CID89012099
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid
SMILESN[C@@H](CCC(=O)O)C(O)=C1CC1
InChIInChI=1S/C8H13NO3/c9-6(3-4-7(10)11)8(12)5-1-2-5/h6,12H,1-4,9H2,(H,10,11)/t6-/m0/s1
InChIKeyWUPRMBSRDIRYII-LURJTMIESA-N
XLogP0.78
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-oxo-5-sulfanylpentanoic acid
CID 73094377
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid?
The IUPAC name of (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid (CID 89012099) is (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid?
The canonical SMILES for (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid is N[C@@H](CCC(=O)O)C(O)=C1CC1.
What is the InChIKey of (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid?
The InChIKey is WUPRMBSRDIRYII-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3/c9-6(3-4-7(10)11)8(12)5-1-2-5/h6,12H,1-4,9H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid?
(4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-cyclopropylidene-5-hydroxypentanoic acid is sourced from PubChem (CID 89012099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).