(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide

C11H19N3O3 — CID 130218949

IUPAC(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide
SMILESC=CC(=O)N(C)[C@@H](CC(C)=O)C(=O)NCCN
InChIInChI=1S/C11H19N3O3/c1-4-10(16)14(3)9(7-8(2)15)11(17)13-6-5-12/h4,9H,1,5-7,12H2,2-3H3,(H,13,17)/t9-/m0/s1
InChIKeyYKDRUJUWMZTYHV-VIFPVBQESA-N
MW241.29 g/mol
LogP-0.95
Rot. Bonds7

About (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide

(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide (PubChem CID 130218949) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide.

Molecular Properties

Compound Name(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide
PubChem CID130218949
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide
SMILESC=CC(=O)N(C)[C@@H](CC(C)=O)C(=O)NCCN
InChIInChI=1S/C11H19N3O3/c1-4-10(16)14(3)9(7-8(2)15)11(17)13-6-5-12/h4,9H,1,5-7,12H2,2-3H3,(H,13,17)/t9-/m0/s1
InChIKeyYKDRUJUWMZTYHV-VIFPVBQESA-N
XLogP-0.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-5,5-dimethyl-2-[methyl(prop-2-enoyl)amino]-4-oxohexanamide
CID 163637870
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218970
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
N-(2-aminoethyl)-2-(dimethylamino)-4-methylpentanamide
CID 170685872
2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
CID 145117042
(2S)-3-hydroxy-2-[methyl(prop-2-enoyl)amino]propanoic acid
CID 176549351
N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide
CID 159896807
N-[1-(2-aminoethylamino)-1,4-dioxopentan-2-yl]-N-methyl-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylhexanamide;ethane
CID 145348726
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
2-amino-N-(2-aminoethyl)propanamide;rutherfordium
CID 173496992
N-(2-aminoethyl)-N'-methyl-N'-pentan-3-yloxamide
CID 43570583
5-amino-N-(2-aminoethyl)-2-[bis(2-aminoethyl)amino]pentanamide
CID 91323931

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide?
The IUPAC name of (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide (CID 130218949) is (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide.
What is the SMILES notation for (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide?
The canonical SMILES for (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide is C=CC(=O)N(C)[C@@H](CC(C)=O)C(=O)NCCN.
What is the InChIKey of (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide?
The InChIKey is YKDRUJUWMZTYHV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-10(16)14(3)9(7-8(2)15)11(17)13-6-5-12/h4,9H,1,5-7,12H2,2-3H3,(H,13,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide?
(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide has a molecular weight of 241.29 g/mol, XLogP of -0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide is sourced from PubChem (CID 130218949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).