N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide

C18H27F2N3O4 — CID 118234912

IUPACN-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC1(C[C@H](NC(=O)C2CC2(F)F)C(=O)NC2(C(O)C(N)=O)CC2)CCCC1
InChIInChI=1S/C18H27F2N3O4/c1-16(4-2-3-5-16)9-11(22-14(26)10-8-18(10,19)20)15(27)23-17(6-7-17)12(24)13(21)25/h10-12,24H,2-9H2,1H3,(H2,21,25)(H,22,26)(H,23,27)/t10?,11-,12?/m0/s1
InChIKeyZVMIGSBANLPINI-CXQJBGSLSA-N
MW387.43 g/mol
LogP0.59
Rot. Bonds8

About N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide

N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 118234912) has the molecular formula C18H27F2N3O4 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID118234912
Molecular FormulaC18H27F2N3O4
Molecular Weight387.43 g/mol
Exact Mass387.20
IUPAC NameN-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC1(C[C@H](NC(=O)C2CC2(F)F)C(=O)NC2(C(O)C(N)=O)CC2)CCCC1
InChIInChI=1S/C18H27F2N3O4/c1-16(4-2-3-5-16)9-11(22-14(26)10-8-18(10,19)20)15(27)23-17(6-7-17)12(24)13(21)25/h10-12,24H,2-9H2,1H3,(H2,21,25)(H,22,26)(H,23,27)/t10?,11-,12?/m0/s1
InChIKeyZVMIGSBANLPINI-CXQJBGSLSA-N
XLogP0.59
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 118234912) is N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide is CC1(C[C@H](NC(=O)C2CC2(F)F)C(=O)NC2(C(O)C(N)=O)CC2)CCCC1.
What is the InChIKey of N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is ZVMIGSBANLPINI-CXQJBGSLSA-N. The full InChI is InChI=1S/C18H27F2N3O4/c1-16(4-2-3-5-16)9-11(22-14(26)10-8-18(10,19)20)15(27)23-17(6-7-17)12(24)13(21)25/h10-12,24H,2-9H2,1H3,(H2,21,25)(H,22,26)(H,23,27)/t10?,11-,12?/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?
N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 0.59, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(2-amino-1-hydroxy-2-oxoethyl)cyclopropyl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 118234912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).