N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C10H17N3O4 — CID 114152589

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC(O)C(N)=O)CC1=O
InChIInChI=1S/C10H17N3O4/c1-2-13-5-6(3-8(13)15)10(17)12-4-7(14)9(11)16/h6-7,14H,2-5H2,1H3,(H2,11,16)(H,12,17)
InChIKeySKFAGRUAWDNWCE-UHFFFAOYSA-N
MW243.26 g/mol
LogP-2.18
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 114152589) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID114152589
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC(O)C(N)=O)CC1=O
InChIInChI=1S/C10H17N3O4/c1-2-13-5-6(3-8(13)15)10(17)12-4-7(14)9(11)16/h6-7,14H,2-5H2,1H3,(H2,11,16)(H,12,17)
InChIKeySKFAGRUAWDNWCE-UHFFFAOYSA-N
XLogP-2.18
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651
N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113258530
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119527204
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103840212
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672
1-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119183
1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119011
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 114152589) is N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCC(O)C(N)=O)CC1=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SKFAGRUAWDNWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-13-5-6(3-8(13)15)10(17)12-4-7(14)9(11)16/h6-7,14H,2-5H2,1H3,(H2,11,16)(H,12,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 114152589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).