4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid

C12H22N2O4 — CID 122016980

IUPAC4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
SMILESCCO[C@@H]1CCC[C@H]1NC(=O)NCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-18-10-6-3-5-9(10)14-12(17)13-8-4-7-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)/t9-,10-/m1/s1
InChIKeyKWENBMZTEHLACV-NXEZZACHSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds7

About 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid

4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid (PubChem CID 122016980) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
PubChem CID122016980
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
SMILESCCO[C@@H]1CCC[C@H]1NC(=O)NCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-18-10-6-3-5-9(10)14-12(17)13-8-4-7-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)/t9-,10-/m1/s1
InChIKeyKWENBMZTEHLACV-NXEZZACHSA-N
XLogP1.11
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 ≤ 51.11
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-[(2-ethylsulfanylcyclohexyl)carbamoylamino]butanoic acid
CID 122005456
6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
CID 61468058
4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid
CID 122009010
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
CID 122002966
4-[[(2S,3R)-2-ethenyloxan-3-yl]carbamoylamino]butanoic acid
CID 122016567
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)butanoic acid
CID 61189494
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
CID 82728125
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid (CID 122016980) is 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid is CCO[C@@H]1CCC[C@H]1NC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid?
The InChIKey is KWENBMZTEHLACV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-18-10-6-3-5-9(10)14-12(17)13-8-4-7-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)/t9-,10-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid?
4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122016980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).