N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide

C12H21N3O3 — CID 79401002

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(CCCNC(=O)C1CC(O)CN1)NC1CC1
InChIInChI=1S/C12H21N3O3/c16-9-6-10(14-7-9)12(18)13-5-1-2-11(17)15-8-3-4-8/h8-10,14,16H,1-7H2,(H,13,18)(H,15,17)
InChIKeyBVJMPORWGJQZCP-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.12
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 79401002) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID79401002
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(CCCNC(=O)C1CC(O)CN1)NC1CC1
InChIInChI=1S/C12H21N3O3/c16-9-6-10(14-7-9)12(18)13-5-1-2-11(17)15-8-3-4-8/h8-10,14,16H,1-7H2,(H,13,18)(H,15,17)
InChIKeyBVJMPORWGJQZCP-UHFFFAOYSA-N
XLogP-1.12
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-[4-(cyclopropylamino)-4-oxobutyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79377074
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 112753360
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
CID 79401380
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide (CID 79401002) is N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(CCCNC(=O)C1CC(O)CN1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is BVJMPORWGJQZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-9-6-10(14-7-9)12(18)13-5-1-2-11(17)15-8-3-4-8/h8-10,14,16H,1-7H2,(H,13,18)(H,15,17).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 79401002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).