2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide

C10H21N3O3 — CID 106187946

IUPAC2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide
SMILESCC(C)(O)C(C)(C)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C10H21N3O3/c1-9(2,10(3,4)16)13-8(15)6(11)5-7(12)14/h6,16H,5,11H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyVIOCMLQRQHEWTK-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.15
Rot. Bonds5

About 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide

2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide (PubChem CID 106187946) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide
PubChem CID106187946
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide
SMILESCC(C)(O)C(C)(C)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C10H21N3O3/c1-9(2,10(3,4)16)13-8(15)6(11)5-7(12)14/h6,16H,5,11H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyVIOCMLQRQHEWTK-UHFFFAOYSA-N
XLogP-1.15
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188088
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pent-4-enamide
CID 106188129
2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
CID 61162344
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
2-amino-N-carbamoylbutanediamide
CID 79194218
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbutanamide
CID 106187972
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 106188163
(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid
CID 134300907
(3R)-3-amino-4-oxohexanamide
CID 139478456
2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188010
2-amino-N-ethylsulfonylbutanediamide
CID 103306832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide?
The IUPAC name of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide (CID 106187946) is 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide?
The canonical SMILES for 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide is CC(C)(O)C(C)(C)NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide?
The InChIKey is VIOCMLQRQHEWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-9(2,10(3,4)16)13-8(15)6(11)5-7(12)14/h6,16H,5,11H2,1-4H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide?
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide has a molecular weight of 231.30 g/mol, XLogP of -1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide is sourced from PubChem (CID 106187946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).