(3S)-3-amino-4-(furan-2-yl)butanoic acid

C8H11NO3 — CID 2761693

IUPAC(3S)-3-amino-4-(furan-2-yl)butanoic acid
SMILESN[C@H](CC(=O)O)Cc1ccco1
InChIInChI=1S/C8H11NO3/c9-6(5-8(10)11)4-7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
InChIKeyZIAIKPBTLUWDMG-LURJTMIESA-N
MW169.18 g/mol
LogP0.62
Rot. Bonds4

About (3S)-3-amino-4-(furan-2-yl)butanoic acid

(3S)-3-amino-4-(furan-2-yl)butanoic acid (PubChem CID 2761693) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3S)-3-amino-4-(furan-2-yl)butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-(furan-2-yl)butanoic acid
PubChem CID2761693
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(3S)-3-amino-4-(furan-2-yl)butanoic acid
SMILESN[C@H](CC(=O)O)Cc1ccco1
InChIInChI=1S/C8H11NO3/c9-6(5-8(10)11)4-7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
InChIKeyZIAIKPBTLUWDMG-LURJTMIESA-N
XLogP0.62
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
1-(furan-2-yl)pent-4-en-2-amine
CID 116660416
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-(furan-2-yl)butanoic acid?
The IUPAC name of (3S)-3-amino-4-(furan-2-yl)butanoic acid (CID 2761693) is (3S)-3-amino-4-(furan-2-yl)butanoic acid.
What is the SMILES notation for (3S)-3-amino-4-(furan-2-yl)butanoic acid?
The canonical SMILES for (3S)-3-amino-4-(furan-2-yl)butanoic acid is N[C@H](CC(=O)O)Cc1ccco1.
What is the InChIKey of (3S)-3-amino-4-(furan-2-yl)butanoic acid?
The InChIKey is ZIAIKPBTLUWDMG-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO3/c9-6(5-8(10)11)4-7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-4-(furan-2-yl)butanoic acid?
(3S)-3-amino-4-(furan-2-yl)butanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-(furan-2-yl)butanoic acid is sourced from PubChem (CID 2761693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).