3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid

C16H22N2O3 — CID 81066840

IUPAC3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC1CC1c1ccccc1)CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-11(8-15(19)20)10-17-16(21)18-14-9-13(14)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyZIRNRFAHVCYQKN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.34
Rot. Bonds7

About 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid

3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid (PubChem CID 81066840) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
PubChem CID81066840
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC1CC1c1ccccc1)CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-11(8-15(19)20)10-17-16(21)18-14-9-13(14)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyZIRNRFAHVCYQKN-UHFFFAOYSA-N
XLogP2.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid
CID 62826816
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
3-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]pentanoic acid
CID 82728333
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
CID 81066653
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid (CID 81066840) is 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid is CCC(CNC(=O)NC1CC1c1ccccc1)CC(=O)O.
What is the InChIKey of 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is ZIRNRFAHVCYQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-11(8-15(19)20)10-17-16(21)18-14-9-13(14)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid?
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81066840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).