(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide

C10H23N3O — CID 103814253

IUPAC(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
SMILESCCC(C)N(C)CCNC(=O)[C@H](C)N
InChIInChI=1S/C10H23N3O/c1-5-8(2)13(4)7-6-12-10(14)9(3)11/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyMBTIKOZIVUQAAG-GKAPJAKFSA-N
MW201.31 g/mol
LogP0.18
Rot. Bonds6

About (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide

(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide (PubChem CID 103814253) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
PubChem CID103814253
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
SMILESCCC(C)N(C)CCNC(=O)[C@H](C)N
InChIInChI=1S/C10H23N3O/c1-5-8(2)13(4)7-6-12-10(14)9(3)11/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyMBTIKOZIVUQAAG-GKAPJAKFSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
CID 103832053
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
CID 107269526
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
CID 107143404
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119874323
3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
CID 114134084
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
CID 103814209
(2S)-2-[2-[butan-2-yl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 114134201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide (CID 103814253) is (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide is CCC(C)N(C)CCNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
The InChIKey is MBTIKOZIVUQAAG-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-8(2)13(4)7-6-12-10(14)9(3)11/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide has a molecular weight of 201.31 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide is sourced from PubChem (CID 103814253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).