(2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide

C13H26N4O3 — CID 88911664

IUPAC(2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide
SMILESCC(N)CCC(=O)N(C)[C@H](C(=O)N(C)C(N)=O)C(C)C
InChIInChI=1S/C13H26N4O3/c1-8(2)11(12(19)17(5)13(15)20)16(4)10(18)7-6-9(3)14/h8-9,11H,6-7,14H2,1-5H3,(H2,15,20)/t9?,11-/m0/s1
InChIKeyVYSDBDXZFNTXIT-UMJHXOGRSA-N
MW286.38 g/mol
LogP0.13
Rot. Bonds6

About (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide

(2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide (PubChem CID 88911664) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide
PubChem CID88911664
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name(2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide
SMILESCC(N)CCC(=O)N(C)[C@H](C(=O)N(C)C(N)=O)C(C)C
InChIInChI=1S/C13H26N4O3/c1-8(2)11(12(19)17(5)13(15)20)16(4)10(18)7-6-9(3)14/h8-9,11H,6-7,14H2,1-5H3,(H2,15,20)/t9?,11-/m0/s1
InChIKeyVYSDBDXZFNTXIT-UMJHXOGRSA-N
XLogP0.13
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
4-aminopentanoic acid;ethane
CID 143436801
4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride
CID 120562633
N-[(2S)-1-[[(1S)-2-amino-1-[(2R,3R)-3-methyloxolan-2-yl]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,4-dimethylpentanamide
CID 121479323
(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide
CID 87212961
ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate
CID 168971540
2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
CID 110834656
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-4-(dimethylamino)butanoyl]-methylamino]-3-methylbutanamide
CID 118028464
N-carbamoyl-N,3-dimethylbutanamide
CID 121479139
5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide
CID 82852575
4-amino-N-cyclopentyl-N-propan-2-ylpentanamide
CID 120560450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide (CID 88911664) is (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide is CC(N)CCC(=O)N(C)[C@H](C(=O)N(C)C(N)=O)C(C)C.
What is the InChIKey of (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide?
The InChIKey is VYSDBDXZFNTXIT-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-8(2)11(12(19)17(5)13(15)20)16(4)10(18)7-6-9(3)14/h8-9,11H,6-7,14H2,1-5H3,(H2,15,20)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide?
(2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-aminopentanoyl(methyl)amino]-N-carbamoyl-N,3-dimethylbutanamide is sourced from PubChem (CID 88911664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).