2-amino-N-(3-hydroxybutyl)butanediamide

C8H17N3O3 — CID 64912890

IUPAC2-amino-N-(3-hydroxybutyl)butanediamide
SMILESCC(O)CCNC(=O)C(N)CC(N)=O
InChIInChI=1S/C8H17N3O3/c1-5(12)2-3-11-8(14)6(9)4-7(10)13/h5-6,12H,2-4,9H2,1H3,(H2,10,13)(H,11,14)
InChIKeyMTDAMBIVWIXNDG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.92
Rot. Bonds6

About 2-amino-N-(3-hydroxybutyl)butanediamide

2-amino-N-(3-hydroxybutyl)butanediamide (PubChem CID 64912890) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxybutyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxybutyl)butanediamide
PubChem CID64912890
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-amino-N-(3-hydroxybutyl)butanediamide
SMILESCC(O)CCNC(=O)C(N)CC(N)=O
InChIInChI=1S/C8H17N3O3/c1-5(12)2-3-11-8(14)6(9)4-7(10)13/h5-6,12H,2-4,9H2,1H3,(H2,10,13)(H,11,14)
InChIKeyMTDAMBIVWIXNDG-UHFFFAOYSA-N
XLogP-1.92
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-methylsulfinylbutyl)butanediamide
CID 115751165
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid
CID 87306158
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
CID 18218968
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanediamide
CID 103950547
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(3-hydroxybutyl)propanamide
CID 64912248

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxybutyl)butanediamide?
The IUPAC name of 2-amino-N-(3-hydroxybutyl)butanediamide (CID 64912890) is 2-amino-N-(3-hydroxybutyl)butanediamide.
What is the SMILES notation for 2-amino-N-(3-hydroxybutyl)butanediamide?
The canonical SMILES for 2-amino-N-(3-hydroxybutyl)butanediamide is CC(O)CCNC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(3-hydroxybutyl)butanediamide?
The InChIKey is MTDAMBIVWIXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(12)2-3-11-8(14)6(9)4-7(10)13/h5-6,12H,2-4,9H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 2-amino-N-(3-hydroxybutyl)butanediamide?
2-amino-N-(3-hydroxybutyl)butanediamide has a molecular weight of 203.24 g/mol, XLogP of -1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxybutyl)butanediamide is sourced from PubChem (CID 64912890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).