N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C11H19N3O3 — CID 115738030

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC(O)CN1)C1CC1
InChIInChI=1S/C11H19N3O3/c15-8-5-9(14-6-8)11(17)13-4-3-12-10(16)7-1-2-7/h7-9,14-15H,1-6H2,(H,12,16)(H,13,17)
InChIKeyCASBHRZJOCHGAC-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.65
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 115738030) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID115738030
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC(O)CN1)C1CC1
InChIInChI=1S/C11H19N3O3/c15-8-5-9(14-6-8)11(17)13-4-3-12-10(16)7-1-2-7/h7-9,14-15H,1-6H2,(H,12,16)(H,13,17)
InChIKeyCASBHRZJOCHGAC-UHFFFAOYSA-N
XLogP-1.65
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.65
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

(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94229368
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
CID 79401002
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119755043

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 115738030) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCCNC(=O)C1CC(O)CN1)C1CC1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is CASBHRZJOCHGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-8-5-9(14-6-8)11(17)13-4-3-12-10(16)7-1-2-7/h7-9,14-15H,1-6H2,(H,12,16)(H,13,17).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 115738030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).