N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane

C17H35N3O3 — CID 165393645

IUPACN-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane
SMILESCC.CCC.NC(=O)C(O)C(CC1CC1)NC(=O)C1CCCN1
InChIInChI=1S/C12H21N3O3.C3H8.C2H6/c13-11(17)10(16)9(6-7-3-4-7)15-12(18)8-2-1-5-14-8;1-3-2;1-2/h7-10,14,16H,1-6H2,(H2,13,17)(H,15,18);3H2,1-2H3;1-2H3
InChIKeyPEHXVVRGDVVJMI-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.31
Rot. Bonds6

About N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane

N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane (PubChem CID 165393645) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane.

Molecular Properties

Compound NameN-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane
PubChem CID165393645
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC NameN-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane
SMILESCC.CCC.NC(=O)C(O)C(CC1CC1)NC(=O)C1CCCN1
InChIInChI=1S/C12H21N3O3.C3H8.C2H6/c13-11(17)10(16)9(6-7-3-4-7)15-12(18)8-2-1-5-14-8;1-3-2;1-2/h7-10,14,16H,1-6H2,(H2,13,17)(H,15,18);3H2,1-2H3;1-2H3
InChIKeyPEHXVVRGDVVJMI-UHFFFAOYSA-N
XLogP1.31
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174354550
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
CID 71251216
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323
N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide
CID 143555575
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
methyl 2-hydroxy-4-phenyl-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 70062434
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane?
The IUPAC name of N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane (CID 165393645) is N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane.
What is the SMILES notation for N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane?
The canonical SMILES for N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane is CC.CCC.NC(=O)C(O)C(CC1CC1)NC(=O)C1CCCN1.
What is the InChIKey of N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane?
The InChIKey is PEHXVVRGDVVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3.C3H8.C2H6/c13-11(17)10(16)9(6-7-3-4-7)15-12(18)8-2-1-5-14-8;1-3-2;1-2/h7-10,14,16H,1-6H2,(H2,13,17)(H,15,18);3H2,1-2H3;1-2H3.
What are the key properties of N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane?
N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane has a molecular weight of 329.49 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane is sourced from PubChem (CID 165393645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).