4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid

C12H22N2O5 — CID 114118208

IUPAC4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NC1CCC(OC)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-6-5-10(11(15)16)14-12(17)13-8-3-4-9(7-8)19-2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyTWOIWTDGSJCUQZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.34
Rot. Bonds7

About 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid

4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid (PubChem CID 114118208) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
PubChem CID114118208
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NC1CCC(OC)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-6-5-10(11(15)16)14-12(17)13-8-3-4-9(7-8)19-2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyTWOIWTDGSJCUQZ-UHFFFAOYSA-N
XLogP0.34
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 114118286
4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid
CID 114118253
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid
CID 114120290
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
CID 64915037
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
1-methoxy-3-(3-methoxycyclopentyl)urea
CID 131201324
1-[(1S,3R)-3-methoxycyclopentyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 129434643

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid (CID 114118208) is 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid is COCCC(NC(=O)NC1CCC(OC)C1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid?
The InChIKey is TWOIWTDGSJCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-18-6-5-10(11(15)16)14-12(17)13-8-3-4-9(7-8)19-2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid?
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 114118208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).