tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

C10H22N4O2 — CID 7016373

IUPACtert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C10H22N4O2/c1-10(2,3)16-8(15)7(11)5-4-6-14-9(12)13/h7H,4-6,11H2,1-3H3,(H4,12,13,14)/t7-/m0/s1
InChIKeyHMSGZWJOSYQSCP-ZETCQYMHSA-N
MW230.31 g/mol
LogP-0.29
Rot. Bonds5

About tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (PubChem CID 7016373) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
PubChem CID7016373
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Nametert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C10H22N4O2/c1-10(2,3)16-8(15)7(11)5-4-6-14-9(12)13/h7H,4-6,11H2,1-3H3,(H4,12,13,14)/t7-/m0/s1
InChIKeyHMSGZWJOSYQSCP-ZETCQYMHSA-N
XLogP-0.29
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate 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

tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 66575041
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
tert-butyl (2S)-2-amino-5-azidopentanoate
CID 150134039
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 166484368
[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate
CID 21304331
tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (CID 7016373) is tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is CC(C)(C)OC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The InChIKey is HMSGZWJOSYQSCP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-10(2,3)16-8(15)7(11)5-4-6-14-9(12)13/h7H,4-6,11H2,1-3H3,(H4,12,13,14)/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate has a molecular weight of 230.31 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 7016373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).