(5S)-5-amino-5-(furan-2-yl)pentanoic acid

C9H13NO3 — CID 55264220

IUPAC(5S)-5-amino-5-(furan-2-yl)pentanoic acid
SMILESN[C@@H](CCCC(=O)O)c1ccco1
InChIInChI=1S/C9H13NO3/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6-7H,1,3,5,10H2,(H,11,12)/t7-/m0/s1
InChIKeyCFUDBIPWHXKQIN-ZETCQYMHSA-N
MW183.21 g/mol
LogP1.53
Rot. Bonds5

About (5S)-5-amino-5-(furan-2-yl)pentanoic acid

(5S)-5-amino-5-(furan-2-yl)pentanoic acid (PubChem CID 55264220) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (5S)-5-amino-5-(furan-2-yl)pentanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-5-(furan-2-yl)pentanoic acid
PubChem CID55264220
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(5S)-5-amino-5-(furan-2-yl)pentanoic acid
SMILESN[C@@H](CCCC(=O)O)c1ccco1
InChIInChI=1S/C9H13NO3/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6-7H,1,3,5,10H2,(H,11,12)/t7-/m0/s1
InChIKeyCFUDBIPWHXKQIN-ZETCQYMHSA-N
XLogP1.53
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-5-amino-5-(furan-2-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
CID 171231726
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
1-(furan-2-yl)decan-1-amine
CID 62716123
3-amino-3-(furan-2-yl)propanoyl iodide
CID 163471239
2-amino-2-(furan-2-yl)ethanol
CID 54048773
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
CID 28931172
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
(2S)-2-aminopentanedioic acid;furan-2-ol
CID 90119871

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-5-(furan-2-yl)pentanoic acid?
The IUPAC name of (5S)-5-amino-5-(furan-2-yl)pentanoic acid (CID 55264220) is (5S)-5-amino-5-(furan-2-yl)pentanoic acid.
What is the SMILES notation for (5S)-5-amino-5-(furan-2-yl)pentanoic acid?
The canonical SMILES for (5S)-5-amino-5-(furan-2-yl)pentanoic acid is N[C@@H](CCCC(=O)O)c1ccco1.
What is the InChIKey of (5S)-5-amino-5-(furan-2-yl)pentanoic acid?
The InChIKey is CFUDBIPWHXKQIN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO3/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6-7H,1,3,5,10H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (5S)-5-amino-5-(furan-2-yl)pentanoic acid?
(5S)-5-amino-5-(furan-2-yl)pentanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-5-(furan-2-yl)pentanoic acid is sourced from PubChem (CID 55264220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).