(2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid

C14H24F2N2O3 — CID 163846929

IUPAC(2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid
SMILESCCCC1(CCNC(=O)N[C@@H](CC(C)(F)F)C(=O)O)CC1
InChIInChI=1S/C14H24F2N2O3/c1-3-4-14(5-6-14)7-8-17-12(21)18-10(11(19)20)9-13(2,15)16/h10H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t10-/m0/s1
InChIKeyOQZXGZPMODQAQW-JTQLQIEISA-N
MW306.35 g/mol
LogP2.75
Rot. Bonds9

About (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid

(2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 163846929) has the molecular formula C14H24F2N2O3 and a molecular weight of 306.35 g/mol. Its IUPAC name is (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid
PubChem CID163846929
Molecular FormulaC14H24F2N2O3
Molecular Weight306.35 g/mol
Exact Mass306.18
IUPAC Name(2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid
SMILESCCCC1(CCNC(=O)N[C@@H](CC(C)(F)F)C(=O)O)CC1
InChIInChI=1S/C14H24F2N2O3/c1-3-4-14(5-6-14)7-8-17-12(21)18-10(11(19)20)9-13(2,15)16/h10H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t10-/m0/s1
InChIKeyOQZXGZPMODQAQW-JTQLQIEISA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid (CID 163846929) is (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid is CCCC1(CCNC(=O)N[C@@H](CC(C)(F)F)C(=O)O)CC1.
What is the InChIKey of (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is OQZXGZPMODQAQW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24F2N2O3/c1-3-4-14(5-6-14)7-8-17-12(21)18-10(11(19)20)9-13(2,15)16/h10H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t10-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid?
(2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 306.35 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 163846929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).