cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H20N2O3 — CID 106319921

IUPACcis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCN(CC)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-3-7-14(4-2)12(17)13-10-6-5-9(8-10)11(15)16/h3,9-10H,1,4-8H2,2H3,(H,13,17)(H,15,16)/t9-,10+/m1/s1
InChIKeyGFAQJIHDOQTNGV-ZJUUUORDSA-N
MW240.30 g/mol
LogP1.46
Rot. Bonds5

About cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319921) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319921
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namecis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCN(CC)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-3-7-14(4-2)12(17)13-10-6-5-9(8-10)11(15)16/h3,9-10H,1,4-8H2,2H3,(H,13,17)(H,15,16)/t9-,10+/m1/s1
InChIKeyGFAQJIHDOQTNGV-ZJUUUORDSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319383
4-[[ethyl(prop-2-enyl)carbamoyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630332
2-[(4-hydroxycyclohexyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276890
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319921) is cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is C=CCN(CC)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GFAQJIHDOQTNGV-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-7-14(4-2)12(17)13-10-6-5-9(8-10)11(15)16/h3,9-10H,1,4-8H2,2H3,(H,13,17)(H,15,16)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).