4-amino-2-methyl-5-(methylamino)pentanoic acid

C7H16N2O2 — CID 142843506

IUPAC4-amino-2-methyl-5-(methylamino)pentanoic acid
SMILESCNCC(N)CC(C)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(7(10)11)3-6(8)4-9-2/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyJRHTXSSSGUWBEH-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.36
Rot. Bonds5

About 4-amino-2-methyl-5-(methylamino)pentanoic acid

4-amino-2-methyl-5-(methylamino)pentanoic acid (PubChem CID 142843506) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-amino-2-methyl-5-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-amino-2-methyl-5-(methylamino)pentanoic acid
PubChem CID142843506
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name4-amino-2-methyl-5-(methylamino)pentanoic acid
SMILESCNCC(N)CC(C)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(7(10)11)3-6(8)4-9-2/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyJRHTXSSSGUWBEH-UHFFFAOYSA-N
XLogP-0.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methylpentanoic acid
CID 22105024
5-amino-2-(methylamino)hexanoic acid
CID 139342913
(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid
CID 125425862
(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
CID 94036784
3-(2-carboxypropyldiazenyl)-2-methylpropanoic acid;nitrous acid
CID 87649830
3-amino-N-methyl-2-(methylamino)propanamide;2,3-bis(methylamino)propanoic acid;N-methyl-2,3-bis(methylamino)propanamide
CID 162000379
3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine
CID 160941583
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid
CID 22627126
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
2,5-bis(methylamino)hexanediamide
CID 66221520
5-amino-5-fluoro-2-(methylamino)pentanoic acid
CID 87457639

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-(methylamino)pentanoic acid?
The IUPAC name of 4-amino-2-methyl-5-(methylamino)pentanoic acid (CID 142843506) is 4-amino-2-methyl-5-(methylamino)pentanoic acid.
What is the SMILES notation for 4-amino-2-methyl-5-(methylamino)pentanoic acid?
The canonical SMILES for 4-amino-2-methyl-5-(methylamino)pentanoic acid is CNCC(N)CC(C)C(=O)O.
What is the InChIKey of 4-amino-2-methyl-5-(methylamino)pentanoic acid?
The InChIKey is JRHTXSSSGUWBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(7(10)11)3-6(8)4-9-2/h5-6,9H,3-4,8H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-2-methyl-5-(methylamino)pentanoic acid?
4-amino-2-methyl-5-(methylamino)pentanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-(methylamino)pentanoic acid is sourced from PubChem (CID 142843506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).