1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid

C16H20N2O3 — CID 122015491

IUPAC1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C16H20N2O3/c19-15(20)12-6-7-18(10-12)16(21)17-9-13-8-14(13)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,17,21)(H,19,20)/t12?,13-,14-/m0/s1
InChIKeyKRLQFHOEZOBHJH-TTZKSVMKSA-N
MW288.35 g/mol
LogP1.91
Rot. Bonds4

About 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122015491) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122015491
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C16H20N2O3/c19-15(20)12-6-7-18(10-12)16(21)17-9-13-8-14(13)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,17,21)(H,19,20)/t12?,13-,14-/m0/s1
InChIKeyKRLQFHOEZOBHJH-TTZKSVMKSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
CID 138011509
3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide
CID 164626725
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014966
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
1-[(1-methoxy-4-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014253

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122015491) is 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1.
What is the InChIKey of 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KRLQFHOEZOBHJH-TTZKSVMKSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)12-6-7-18(10-12)16(21)17-9-13-8-14(13)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,17,21)(H,19,20)/t12?,13-,14-/m0/s1.
What are the key properties of 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122015491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).