3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid

C12H19N3O4 — CID 64895752

IUPAC3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
SMILESCN(C)C(CNC(=O)C(N)CC(=O)O)c1ccco1
InChIInChI=1S/C12H19N3O4/c1-15(2)9(10-4-3-5-19-10)7-14-12(18)8(13)6-11(16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFRNUQXAXRLHJJO-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.20
Rot. Bonds7

About 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid

3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid (PubChem CID 64895752) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
PubChem CID64895752
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
SMILESCN(C)C(CNC(=O)C(N)CC(=O)O)c1ccco1
InChIInChI=1S/C12H19N3O4/c1-15(2)9(10-4-3-5-19-10)7-14-12(18)8(13)6-11(16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFRNUQXAXRLHJJO-UHFFFAOYSA-N
XLogP-0.20
TPSA108.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide
CID 61247741
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
CID 81088734
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
CID 65292308
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid (CID 64895752) is 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid is CN(C)C(CNC(=O)C(N)CC(=O)O)c1ccco1.
What is the InChIKey of 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid?
The InChIKey is FRNUQXAXRLHJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-15(2)9(10-4-3-5-19-10)7-14-12(18)8(13)6-11(16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid?
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 64895752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).