N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide

C9H17N3O3 — CID 106175529

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(N)=O)CCNC1
InChIInChI=1S/C9H17N3O3/c1-9(2-3-11-5-9)8(15)12-4-6(13)7(10)14/h6,11,13H,2-5H2,1H3,(H2,10,14)(H,12,15)
InChIKeyDRJTWGDZJFASTD-UHFFFAOYSA-N
MW215.25 g/mol
LogP-2.05
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 106175529) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID106175529
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(N)=O)CCNC1
InChIInChI=1S/C9H17N3O3/c1-9(2-3-11-5-9)8(15)12-4-6(13)7(10)14/h6,11,13H,2-5H2,1H3,(H2,10,14)(H,12,15)
InChIKeyDRJTWGDZJFASTD-UHFFFAOYSA-N
XLogP-2.05
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724
methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 107222737
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide
CID 114284552
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 66185354
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114154115
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 65120412
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide (CID 106175529) is N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCC(O)C(N)=O)CCNC1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is DRJTWGDZJFASTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2-3-11-5-9)8(15)12-4-6(13)7(10)14/h6,11,13H,2-5H2,1H3,(H2,10,14)(H,12,15).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106175529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).