(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid

C7H10N2O3 — CID 130725471

IUPAC(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
SMILESNc1occc1[C@@H](N)CC(=O)O
InChIInChI=1S/C7H10N2O3/c8-5(3-6(10)11)4-1-2-12-7(4)9/h1-2,5H,3,8-9H2,(H,10,11)/t5-/m0/s1
InChIKeyUJCXWUUNBHIYDL-YFKPBYRVSA-N
MW170.17 g/mol
LogP0.34
Rot. Bonds3

About (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid

(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid (PubChem CID 130725471) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
PubChem CID130725471
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
SMILESNc1occc1[C@@H](N)CC(=O)O
InChIInChI=1S/C7H10N2O3/c8-5(3-6(10)11)4-1-2-12-7(4)9/h1-2,5H,3,8-9H2,(H,10,11)/t5-/m0/s1
InChIKeyUJCXWUUNBHIYDL-YFKPBYRVSA-N
XLogP0.34
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(5-fluoro-1-benzofuran-7-yl)propanoic acid
CID 117319083
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
4-amino-3-(2-methylfuran-3-yl)butanoic acid
CID 82601605
(3S)-3-amino-3-(2,3-diaminophenyl)propanoic acid
CID 55268840
3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
CID 55269173
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
(3S)-3-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130664329
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid (CID 130725471) is (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid is Nc1occc1[C@@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid?
The InChIKey is UJCXWUUNBHIYDL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-5(3-6(10)11)4-1-2-12-7(4)9/h1-2,5H,3,8-9H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid?
(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid is sourced from PubChem (CID 130725471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).