2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene

C13H23N3O3 — CID 155736218

IUPAC2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
SMILESC=CC.NCC(=O)N[C@H](C=O)CC1CCCNC1=O
InChIInChI=1S/C10H17N3O3.C3H6/c11-5-9(15)13-8(6-14)4-7-2-1-3-12-10(7)16;1-3-2/h6-8H,1-5,11H2,(H,12,16)(H,13,15);3H,1H2,2H3/t7?,8-;/m0./s1
InChIKeyASPRKLQLSZTUAW-MTICXXPYSA-N
MW269.34 g/mol
LogP-0.26
Rot. Bonds5

About 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene

2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene (PubChem CID 155736218) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
PubChem CID155736218
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
SMILESC=CC.NCC(=O)N[C@H](C=O)CC1CCCNC1=O
InChIInChI=1S/C10H17N3O3.C3H6/c11-5-9(15)13-8(6-14)4-7-2-1-3-12-10(7)16;1-3-2/h6-8H,1-5,11H2,(H,12,16)(H,13,15);3H,1H2,2H3/t7?,8-;/m0./s1
InChIKeyASPRKLQLSZTUAW-MTICXXPYSA-N
XLogP-0.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene with MolForge

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Launch Full Analysis

Related Compounds

ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 155736240
(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 167203166
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
CID 172806671
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
benzyl N-[3-(4-hydroxyphenyl)-1-oxo-1-[[2-oxo-2-[[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]amino]ethyl]amino]propan-2-yl]carbamate
CID 145401591
5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 167244133
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(ethenylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 166893657
benzyl N-[3-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]amino]ethyl]amino]propan-2-yl]carbamate;2-methylpropane
CID 145401598
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069
N-[3-(4-fluorophenyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]propan-2-yl]benzamide
CID 72700176

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene?
The IUPAC name of 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene (CID 155736218) is 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene.
What is the SMILES notation for 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene?
The canonical SMILES for 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene is C=CC.NCC(=O)N[C@H](C=O)CC1CCCNC1=O.
What is the InChIKey of 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene?
The InChIKey is ASPRKLQLSZTUAW-MTICXXPYSA-N. The full InChI is InChI=1S/C10H17N3O3.C3H6/c11-5-9(15)13-8(6-14)4-7-2-1-3-12-10(7)16;1-3-2/h6-8H,1-5,11H2,(H,12,16)(H,13,15);3H,1H2,2H3/t7?,8-;/m0./s1.
What are the key properties of 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene?
2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene has a molecular weight of 269.34 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene is sourced from PubChem (CID 155736218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).