2-amino-N-(2-methylbutan-2-yl)butanediamide

C9H19N3O2 — CID 60849148

IUPAC2-amino-N-(2-methylbutan-2-yl)butanediamide
SMILESCCC(C)(C)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-9(2,3)12-8(14)6(10)5-7(11)13/h6H,4-5,10H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyRKQCHLLUBJDQFU-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.51
Rot. Bonds5

About 2-amino-N-(2-methylbutan-2-yl)butanediamide

2-amino-N-(2-methylbutan-2-yl)butanediamide (PubChem CID 60849148) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-N-(2-methylbutan-2-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-methylbutan-2-yl)butanediamide
PubChem CID60849148
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-N-(2-methylbutan-2-yl)butanediamide
SMILESCCC(C)(C)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-9(2,3)12-8(14)6(10)5-7(11)13/h6H,4-5,10H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyRKQCHLLUBJDQFU-UHFFFAOYSA-N
XLogP-0.51
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide
CID 106187946
2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
CID 61162344
2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
CID 81189075
(3R)-3-amino-4-oxohexanamide
CID 139478456
2-amino-N-ethylsulfonylbutanediamide
CID 103306832
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
2-amino-N-carbamoylbutanediamide
CID 79194218
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylbutan-2-yl)butanediamide?
The IUPAC name of 2-amino-N-(2-methylbutan-2-yl)butanediamide (CID 60849148) is 2-amino-N-(2-methylbutan-2-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-methylbutan-2-yl)butanediamide?
The canonical SMILES for 2-amino-N-(2-methylbutan-2-yl)butanediamide is CCC(C)(C)NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-methylbutan-2-yl)butanediamide?
The InChIKey is RKQCHLLUBJDQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-9(2,3)12-8(14)6(10)5-7(11)13/h6H,4-5,10H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-(2-methylbutan-2-yl)butanediamide?
2-amino-N-(2-methylbutan-2-yl)butanediamide has a molecular weight of 201.27 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylbutan-2-yl)butanediamide is sourced from PubChem (CID 60849148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).