cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C14H24N2O5 — CID 106319555

IUPACcis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C(C)C
InChIInChI=1S/C14H24N2O5/c1-4-21-12(17)8-16(9(2)3)14(20)15-11-6-5-10(7-11)13(18)19/h9-11H,4-8H2,1-3H3,(H,15,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyKIJSUJQADYPLTI-MNOVXSKESA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds6

About cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319555) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319555
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namecis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C(C)C
InChIInChI=1S/C14H24N2O5/c1-4-21-12(17)8-16(9(2)3)14(20)15-11-6-5-10(7-11)13(18)19/h9-11H,4-8H2,1-3H3,(H,15,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyKIJSUJQADYPLTI-MNOVXSKESA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319531
1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782270
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
CID 54916597
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319555) is cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid is CCOC(=O)CN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C(C)C.
What is the InChIKey of cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KIJSUJQADYPLTI-MNOVXSKESA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-21-12(17)8-16(9(2)3)14(20)15-11-6-5-10(7-11)13(18)19/h9-11H,4-8H2,1-3H3,(H,15,20)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).