(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide

C10H19N3O2 — CID 59900107

IUPAC(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
SMILESC=C(C)NOCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H19N3O2/c1-8(2)13-15-7-6-12-10(14)9-4-3-5-11-9/h9,11,13H,1,3-7H2,2H3,(H,12,14)/t9-/m0/s1
InChIKeyUTFRINPOWRKSKF-VIFPVBQESA-N
MW213.28 g/mol
LogP-0.09
Rot. Bonds6

About (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide (PubChem CID 59900107) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
PubChem CID59900107
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
SMILESC=C(C)NOCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H19N3O2/c1-8(2)13-15-7-6-12-10(14)9-4-3-5-11-9/h9,11,13H,1,3-7H2,2H3,(H,12,14)/t9-/m0/s1
InChIKeyUTFRINPOWRKSKF-VIFPVBQESA-N
XLogP-0.09
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072712
2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072714
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide
CID 59900096
(2S)-1-methyl-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900110
5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 91296792
N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142848620
N-[2-(dimethylamino)ethyl]-1-prop-1-en-2-ylpyrrolidine-2-carboxamide;ethane
CID 145658619
2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
CID 157480889
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
CID 158708327
2-(3-amino-2-oxopiperidin-1-yl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 23400525
2-(3-amino-2-oxopyrrolidin-1-yl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 23400526
N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide
CID 142848621

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide (CID 59900107) is (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide is C=C(C)NOCCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide?
The InChIKey is UTFRINPOWRKSKF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(2)13-15-7-6-12-10(14)9-4-3-5-11-9/h9,11,13H,1,3-7H2,2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59900107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).