4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid

C10H23N3O2 — CID 64694003

IUPAC4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid
SMILESCN(C)CCCN(C)C(CCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-12(2)7-4-8-13(3)9(5-6-11)10(14)15/h9H,4-8,11H2,1-3H3,(H,14,15)
InChIKeyNQZWDAHTDAVPQQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.33
Rot. Bonds8

About 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid

4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid (PubChem CID 64694003) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid
PubChem CID64694003
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid
SMILESCN(C)CCCN(C)C(CCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-12(2)7-4-8-13(3)9(5-6-11)10(14)15/h9H,4-8,11H2,1-3H3,(H,14,15)
InChIKeyNQZWDAHTDAVPQQ-UHFFFAOYSA-N
XLogP-0.33
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
CID 64692953
2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63698900
(2S)-2-[methyl(octyl)amino]-4-methylsulfanylbutanoic acid
CID 22811822
4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid
CID 64693991
2-[2-carboxyethyl(methyl)amino]hexanoic acid
CID 82328730
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948
(2S)-4-(aminomethylideneamino)-2-[3-aminopropyl(methyl)amino]pent-4-enoic acid
CID 142841888

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid?
The IUPAC name of 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid (CID 64694003) is 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid.
What is the SMILES notation for 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid?
The canonical SMILES for 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid is CN(C)CCCN(C)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid?
The InChIKey is NQZWDAHTDAVPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-12(2)7-4-8-13(3)9(5-6-11)10(14)15/h9H,4-8,11H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid?
4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid has a molecular weight of 217.31 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid is sourced from PubChem (CID 64694003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).