4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid

C12H22N2O4 — CID 122009010

IUPAC4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid
SMILESCOC1CCCC1CNC(=O)NCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-18-10-5-2-4-9(10)8-14-12(17)13-7-3-6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyNFNLRJPSLUUKPS-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.97
Rot. Bonds7

About 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid

4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid (PubChem CID 122009010) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid
PubChem CID122009010
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid
SMILESCOC1CCCC1CNC(=O)NCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-18-10-5-2-4-9(10)8-14-12(17)13-7-3-6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyNFNLRJPSLUUKPS-UHFFFAOYSA-N
XLogP0.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
N-[(2-methoxycyclopentyl)methyl]acetamide
CID 130918496
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
CID 122016980
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191606
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]carbamoylamino]butanoic acid
CID 122005059
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid (CID 122009010) is 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid is COC1CCCC1CNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid?
The InChIKey is NFNLRJPSLUUKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-18-10-5-2-4-9(10)8-14-12(17)13-7-3-6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid?
4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 122009010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).