2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide

C7H16N2O3 — CID 65314270

IUPAC2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
SMILESCCC(N)C(=O)NC(CO)CO
InChIInChI=1S/C7H16N2O3/c1-2-6(8)7(12)9-5(3-10)4-11/h5-6,10-11H,2-4,8H2,1H3,(H,9,12)
InChIKeyVBBFSGOXQKFVOG-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.81
Rot. Bonds5

About 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide

2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide (PubChem CID 65314270) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
PubChem CID65314270
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
SMILESCCC(N)C(=O)NC(CO)CO
InChIInChI=1S/C7H16N2O3/c1-2-6(8)7(12)9-5(3-10)4-11/h5-6,10-11H,2-4,8H2,1H3,(H,9,12)
InChIKeyVBBFSGOXQKFVOG-UHFFFAOYSA-N
XLogP-1.81
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
CID 107222531
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
The IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide (CID 65314270) is 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide is CCC(N)C(=O)NC(CO)CO.
What is the InChIKey of 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
The InChIKey is VBBFSGOXQKFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-2-6(8)7(12)9-5(3-10)4-11/h5-6,10-11H,2-4,8H2,1H3,(H,9,12).
What are the key properties of 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide has a molecular weight of 176.22 g/mol, XLogP of -1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide is sourced from PubChem (CID 65314270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).