(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide

C14H30N4O2 — CID 103188725

IUPAC(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C(C)CN(C)C
InChIInChI=1S/C14H30N4O2/c1-7-18(11(4)9-17(5)6)12(19)8-16-14(20)13(15)10(2)3/h10-11,13H,7-9,15H2,1-6H3,(H,16,20)/t11?,13-/m0/s1
InChIKeyJKHTWVPGIHNJLH-YUZLPWPTSA-N
MW286.42 g/mol
LogP-0.12
Rot. Bonds8

About (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 103188725) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide
PubChem CID103188725
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C(C)CN(C)C
InChIInChI=1S/C14H30N4O2/c1-7-18(11(4)9-17(5)6)12(19)8-16-14(20)13(15)10(2)3/h10-11,13H,7-9,15H2,1-6H3,(H,16,20)/t11?,13-/m0/s1
InChIKeyJKHTWVPGIHNJLH-YUZLPWPTSA-N
XLogP-0.12
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

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CID 23645882
Val-boroAla
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(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
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(2S)-N-(2-amino-2-oxoethyl)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]methylamino]pentanamide
CID 131032
2-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone
CID 4470972
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
Ala-boroLeu
CID 53362661
[(1R)-1-[[(2S)-2-aminobutanoyl]amino]-3-methylbutyl]boronic acid
CID 53362790

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide (CID 103188725) is (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide is CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C(C)CN(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is JKHTWVPGIHNJLH-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-7-18(11(4)9-17(5)6)12(19)8-16-14(20)13(15)10(2)3/h10-11,13H,7-9,15H2,1-6H3,(H,16,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 286.42 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 103188725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).