(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid

C9H11NO3 — CID 55255644

IUPAC(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid
SMILESNC(/C=C/c1ccco1)CC(=O)O
InChIInChI=1S/C9H11NO3/c10-7(6-9(11)12)3-4-8-2-1-5-13-8/h1-5,7H,6,10H2,(H,11,12)/b4-3+
InChIKeyMJHUUCJPCOPLTB-ONEGZZNKSA-N
MW181.19 g/mol
LogP1.09
Rot. Bonds4

About (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid

(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid (PubChem CID 55255644) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid
PubChem CID55255644
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid
SMILESNC(/C=C/c1ccco1)CC(=O)O
InChIInChI=1S/C9H11NO3/c10-7(6-9(11)12)3-4-8-2-1-5-13-8/h1-5,7H,6,10H2,(H,11,12)/b4-3+
InChIKeyMJHUUCJPCOPLTB-ONEGZZNKSA-N
XLogP1.09
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E,2S)-2-ethyl-4-(furan-2-yl)but-3-enoic acid
CID 138963796
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082
(2R)-4-(furan-2-yl)but-3-en-2-ol
CID 131876668
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 10726535
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(3S)-3-amino-4-(furan-2-yl)butanoic acid
CID 2761693

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid?
The IUPAC name of (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid (CID 55255644) is (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid.
What is the SMILES notation for (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid?
The canonical SMILES for (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid is NC(/C=C/c1ccco1)CC(=O)O.
What is the InChIKey of (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid?
The InChIKey is MJHUUCJPCOPLTB-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H11NO3/c10-7(6-9(11)12)3-4-8-2-1-5-13-8/h1-5,7H,6,10H2,(H,11,12)/b4-3+.
What are the key properties of (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid?
(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-5-(furan-2-yl)pent-4-enoic acid is sourced from PubChem (CID 55255644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).