(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide

C18H26N4O2 — CID 97028910

IUPAC(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H26N4O2/c1-2-19-18(24)22-9-8-15(12-22)21-17(23)20-11-14-10-16(14)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H,19,24)(H2,20,21,23)/t14-,15-,16+/m0/s1
InChIKeyAJBAZRPWHODWBG-HRCADAONSA-N
MW330.43 g/mol
LogP1.89
Rot. Bonds5

About (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide

(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide (PubChem CID 97028910) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
PubChem CID97028910
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H26N4O2/c1-2-19-18(24)22-9-8-15(12-22)21-17(23)20-11-14-10-16(14)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H,19,24)(H2,20,21,23)/t14-,15-,16+/m0/s1
InChIKeyAJBAZRPWHODWBG-HRCADAONSA-N
XLogP1.89
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
CID 138994694
3-[(2-aminoacetyl)amino]-N-ethylpyrrolidine-1-carboxamide
CID 119344677
N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide
CID 166532637

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide (CID 97028910) is (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)C1.
What is the InChIKey of (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide?
The InChIKey is AJBAZRPWHODWBG-HRCADAONSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-2-19-18(24)22-9-8-15(12-22)21-17(23)20-11-14-10-16(14)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H,19,24)(H2,20,21,23)/t14-,15-,16+/m0/s1.
What are the key properties of (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide?
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97028910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).