4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid

C11H19N3O5 — CID 114118253

IUPAC4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOC1CCC(NC(=O)NC(CC(N)=O)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-19-7-3-2-6(4-7)13-11(18)14-8(10(16)17)5-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeySNWUFFKBGKCPFX-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.82
Rot. Bonds6

About 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid

4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 114118253) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID114118253
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOC1CCC(NC(=O)NC(CC(N)=O)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-19-7-3-2-6(4-7)13-11(18)14-8(10(16)17)5-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeySNWUFFKBGKCPFX-UHFFFAOYSA-N
XLogP-0.82
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid
CID 114120290
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 114118208
(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
(2R)-2-[(3-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 114118286
(2S)-4-amino-4-oxo-2-(thian-4-ylcarbamoylamino)butanoic acid
CID 104870671
1-methoxy-3-(3-methoxycyclopentyl)urea
CID 131201324
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
(2S)-4-amino-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 63998195
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
1-[(1S,3R)-3-methoxycyclopentyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 129434643
1-[(1R,3S)-3-methoxycyclopentyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 100690924
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid (CID 114118253) is 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid is COC1CCC(NC(=O)NC(CC(N)=O)C(=O)O)C1.
What is the InChIKey of 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is SNWUFFKBGKCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-19-7-3-2-6(4-7)13-11(18)14-8(10(16)17)5-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid?
4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 114118253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).