cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid

C16H20N2O3 — CID 106319586

IUPACcis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CC1c1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c19-15(20)11-6-7-12(8-11)17-16(21)18-14-9-13(14)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,19,20)(H2,17,18,21)/t11-,12+,13?,14?/m1/s1
InChIKeyKUISGAKVMOTJSE-KBHBFKLGSA-N
MW288.35 g/mol
LogP2.10
Rot. Bonds4

About cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106319586) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106319586
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namecis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CC1c1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c19-15(20)11-6-7-12(8-11)17-16(21)18-14-9-13(14)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,19,20)(H2,17,18,21)/t11-,12+,13?,14?/m1/s1
InChIKeyKUISGAKVMOTJSE-KBHBFKLGSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001828
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106319586) is cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(NC1CC1c1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KUISGAKVMOTJSE-KBHBFKLGSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)11-6-7-12(8-11)17-16(21)18-14-9-13(14)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,19,20)(H2,17,18,21)/t11-,12+,13?,14?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).