4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid

C11H16N2O4 — CID 64895823

IUPAC4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccco1
InChIInChI=1S/C11H16N2O4/c12-9(3-4-10(14)15)11(16)13-6-5-8-2-1-7-17-8/h1-2,7,9H,3-6,12H2,(H,13,16)(H,14,15)
InChIKeyMZMHAJTYYIVKOJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.13
Rot. Bonds7

About 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid

4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 64895823) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
PubChem CID64895823
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccco1
InChIInChI=1S/C11H16N2O4/c12-9(3-4-10(14)15)11(16)13-6-5-8-2-1-7-17-8/h1-2,7,9H,3-6,12H2,(H,13,16)(H,14,15)
InChIKeyMZMHAJTYYIVKOJ-UHFFFAOYSA-N
XLogP0.13
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
CID 61156256
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82961514
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid (CID 64895823) is 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCc1ccco1.
What is the InChIKey of 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is MZMHAJTYYIVKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c12-9(3-4-10(14)15)11(16)13-6-5-8-2-1-7-17-8/h1-2,7,9H,3-6,12H2,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64895823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).