N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide

C17H32N3O3P — CID 123271364

IUPACN-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide
SMILESCCCC1CCN(P)C1C(=O)NC(CCC)C(O)C(=O)NC1CC1
InChIInChI=1S/C17H32N3O3P/c1-3-5-11-9-10-20(24)14(11)16(22)19-13(6-4-2)15(21)17(23)18-12-7-8-12/h11-15,21H,3-10,24H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyHDOPIRXJEWFKRJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.19
Rot. Bonds9

About N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide

N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide (PubChem CID 123271364) has the molecular formula C17H32N3O3P and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide
PubChem CID123271364
Molecular FormulaC17H32N3O3P
Molecular Weight357.44 g/mol
Exact Mass357.22
IUPAC NameN-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide
SMILESCCCC1CCN(P)C1C(=O)NC(CCC)C(O)C(=O)NC1CC1
InChIInChI=1S/C17H32N3O3P/c1-3-5-11-9-10-20(24)14(11)16(22)19-13(6-4-2)15(21)17(23)18-12-7-8-12/h11-15,21H,3-10,24H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyHDOPIRXJEWFKRJ-UHFFFAOYSA-N
XLogP1.19
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
CID 59592034
tert-butyl (3S,3aS,6aR)-3-[[(2S,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 129384953
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
[(2S)-2-[(3aS,6aR)-3-[[(2S,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-tert-butylcarbamic acid
CID 87118394
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955
tert-butyl N-[(2S)-2-[(3S,3aS,6aR)-3-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 140541692
[(3S)-1-(cyclopropylamino)-3-(methoxycarbonylamino)-1-oxohexan-2-yl] acetate
CID 70320225
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate;methanol
CID 157062970
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
N-cyclopropyl-2-hydroxy-3-[3-(1-methylpyrazol-4-yl)propanoylamino]heptanamide
CID 126801958
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide (CID 123271364) is N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide is CCCC1CCN(P)C1C(=O)NC(CCC)C(O)C(=O)NC1CC1.
What is the InChIKey of N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide?
The InChIKey is HDOPIRXJEWFKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N3O3P/c1-3-5-11-9-10-20(24)14(11)16(22)19-13(6-4-2)15(21)17(23)18-12-7-8-12/h11-15,21H,3-10,24H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide?
N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123271364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).