(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

C13H19N3O5 — CID 61420678

IUPAC(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(Cc1ccco1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-2-16(8-9-4-3-7-21-9)13(20)15-10(12(18)19)5-6-11(14)17/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyGWTOEHKXJKBJCB-JTQLQIEISA-N
MW297.31 g/mol
LogP0.53
Rot. Bonds8

About (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61420678) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID61420678
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(Cc1ccco1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-2-16(8-9-4-3-7-21-9)13(20)15-10(12(18)19)5-6-11(14)17/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyGWTOEHKXJKBJCB-JTQLQIEISA-N
XLogP0.53
TPSA125.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61421365
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976380
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
(2S)-5-amino-2-(methylamino)-5-oxopentanoic acid;N-[2-(furan-2-yl)ethylidene]hydroxylamine
CID 173458645
(2R)-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909907
(2S)-2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 61437777
(2S)-5-amino-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 61197904
(2S)-5-amino-2-(methylamino)-5-oxopentanoic acid;N-(furan-2-ylmethyl)methanimine oxide
CID 88832530
(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 107831192
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 61420678) is (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is CCN(Cc1ccco1)C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is GWTOEHKXJKBJCB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-16(8-9-4-3-7-21-9)13(20)15-10(12(18)19)5-6-11(14)17/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61420678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).