ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate

C11H18N2O3 — CID 140523794

IUPACethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](NC(=O)C2CC2)CN1
InChIInChI=1S/C11H18N2O3/c1-2-16-11(15)9-5-8(6-12-9)13-10(14)7-3-4-7/h7-9,12H,2-6H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeySWZSNKLEXAVKAK-RKDXNWHRSA-N
MW226.28 g/mol
LogP-0.19
Rot. Bonds4

About ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate

ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate (PubChem CID 140523794) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
PubChem CID140523794
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](NC(=O)C2CC2)CN1
InChIInChI=1S/C11H18N2O3/c1-2-16-11(15)9-5-8(6-12-9)13-10(14)7-3-4-7/h7-9,12H,2-6H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeySWZSNKLEXAVKAK-RKDXNWHRSA-N
XLogP-0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
CID 143889099
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 59628502
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
methyl (2S,4S)-4-(propanoylamino)pyrrolidine-2-carboxylate
CID 118759565
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119738217
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 130146070
ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate (CID 140523794) is ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1C[C@@H](NC(=O)C2CC2)CN1.
What is the InChIKey of ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate?
The InChIKey is SWZSNKLEXAVKAK-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-16-11(15)9-5-8(6-12-9)13-10(14)7-3-4-7/h7-9,12H,2-6H2,1H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate?
ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate has a molecular weight of 226.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate is sourced from PubChem (CID 140523794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).