(2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid

C14H30N4O2 — CID 141104063

IUPAC(2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid
SMILESCC(C)(C)C(CC([C@H](N)C(=O)O)C(C)(C)C)N=C(N)N
InChIInChI=1S/C14H30N4O2/c1-13(2,3)8(10(15)11(19)20)7-9(14(4,5)6)18-12(16)17/h8-10H,7,15H2,1-6H3,(H,19,20)(H4,16,17,18)/t8?,9?,10-/m0/s1
InChIKeyACLIYSRIMHJPJK-RTBKNWGFSA-N
MW286.42 g/mol
LogP1.14
Rot. Bonds5

About (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid

(2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid (PubChem CID 141104063) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid
PubChem CID141104063
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name(2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid
SMILESCC(C)(C)C(CC([C@H](N)C(=O)O)C(C)(C)C)N=C(N)N
InChIInChI=1S/C14H30N4O2/c1-13(2,3)8(10(15)11(19)20)7-9(14(4,5)6)18-12(16)17/h8-10H,7,15H2,1-6H3,(H,19,20)(H4,16,17,18)/t8?,9?,10-/m0/s1
InChIKeyACLIYSRIMHJPJK-RTBKNWGFSA-N
XLogP1.14
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid?
The IUPAC name of (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid (CID 141104063) is (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid.
What is the SMILES notation for (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid?
The canonical SMILES for (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid is CC(C)(C)C(CC([C@H](N)C(=O)O)C(C)(C)C)N=C(N)N.
What is the InChIKey of (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid?
The InChIKey is ACLIYSRIMHJPJK-RTBKNWGFSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-13(2,3)8(10(15)11(19)20)7-9(14(4,5)6)18-12(16)17/h8-10H,7,15H2,1-6H3,(H,19,20)(H4,16,17,18)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid?
(2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid is sourced from PubChem (CID 141104063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).