2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane

C12H30N4O2 — CID 143299850

IUPAC2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane
SMILESCC.CCNC(=O)C(NC(=O)[C@H](C)N)C(C)C.N
InChIInChI=1S/C10H21N3O2.C2H6.H3N/c1-5-12-10(15)8(6(2)3)13-9(14)7(4)11;1-2;/h6-8H,5,11H2,1-4H3,(H,12,15)(H,13,14);1-2H3;1H3/t7-,8?;;/m0../s1
InChIKeyYRYPRNOOUPKYEH-LYJMGTGMSA-N
MW262.40 g/mol
LogP0.80
Rot. Bonds5

About 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane

2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane (PubChem CID 143299850) has the molecular formula C12H30N4O2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane
PubChem CID143299850
Molecular FormulaC12H30N4O2
Molecular Weight262.40 g/mol
Exact Mass262.24
IUPAC Name2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane
SMILESCC.CCNC(=O)C(NC(=O)[C@H](C)N)C(C)C.N
InChIInChI=1S/C10H21N3O2.C2H6.H3N/c1-5-12-10(15)8(6(2)3)13-9(14)7(4)11;1-2;/h6-8H,5,11H2,1-4H3,(H,12,15)(H,13,14);1-2H3;1H3/t7-,8?;;/m0../s1
InChIKeyYRYPRNOOUPKYEH-LYJMGTGMSA-N
XLogP0.80
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-(2-methylpropyl)butanamide
CID 86589155
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 18240273
tert-butyl N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]carbamate;ethane
CID 143423917
2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid
CID 18240505
4-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18240265
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoic acid
CID 18240223
2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18236933
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18240507
2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 18240275

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane (CID 143299850) is 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane is CC.CCNC(=O)C(NC(=O)[C@H](C)N)C(C)C.N.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane?
The InChIKey is YRYPRNOOUPKYEH-LYJMGTGMSA-N. The full InChI is InChI=1S/C10H21N3O2.C2H6.H3N/c1-5-12-10(15)8(6(2)3)13-9(14)7(4)11;1-2;/h6-8H,5,11H2,1-4H3,(H,12,15)(H,13,14);1-2H3;1H3/t7-,8?;;/m0../s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane?
2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane has a molecular weight of 262.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane is sourced from PubChem (CID 143299850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).