7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid

C10H21N3O3 — CID 66223013

IUPAC7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid
SMILESCNC(CCCC(C)(NC)C(=O)O)C(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(13-3,9(15)16)6-4-5-7(12-2)8(11)14/h7,12-13H,4-6H2,1-3H3,(H2,11,14)(H,15,16)
InChIKeyMEPVOTXPBCEVRO-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.71
Rot. Bonds8

About 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid

7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid (PubChem CID 66223013) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid
PubChem CID66223013
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid
SMILESCNC(CCCC(C)(NC)C(=O)O)C(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(13-3,9(15)16)6-4-5-7(12-2)8(11)14/h7,12-13H,4-6H2,1-3H3,(H2,11,14)(H,15,16)
InChIKeyMEPVOTXPBCEVRO-UHFFFAOYSA-N
XLogP-0.71
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid
CID 66222169
2-methyl-6-(methylamino)-2-(propylamino)heptanediamide
CID 66221079
2,5-bis(methylamino)hexanediamide
CID 66221520
2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
CID 66224091
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
methyl 9-amino-2-methyl-8-(methylamino)-9-oxo-2-(propylamino)nonanoate
CID 66222381
2-methyl-5-(methylamino)-2-(propan-2-ylamino)hexanediamide
CID 66223014
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
2-methyl-2-(methylamino)-4-(3-methylbutylsulfanyl)butanoic acid
CID 107756213

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid?
The IUPAC name of 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid (CID 66223013) is 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid.
What is the SMILES notation for 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid?
The canonical SMILES for 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid is CNC(CCCC(C)(NC)C(=O)O)C(N)=O.
What is the InChIKey of 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid?
The InChIKey is MEPVOTXPBCEVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(13-3,9(15)16)6-4-5-7(12-2)8(11)14/h7,12-13H,4-6H2,1-3H3,(H2,11,14)(H,15,16).
What are the key properties of 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid?
7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid has a molecular weight of 231.30 g/mol, XLogP of -0.71, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid is sourced from PubChem (CID 66223013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).