aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

C7H17N5O2 — CID 139681753

IUPACaminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNCOC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C7H17N5O2/c8-4-14-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,8-9H2,(H4,10,11,12)/t5-/m0/s1
InChIKeyMPMABMORQMPSSN-YFKPBYRVSA-N
MW203.25 g/mol
LogP-2.17
Rot. Bonds6

About aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (PubChem CID 139681753) has the molecular formula C7H17N5O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Nameaminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
PubChem CID139681753
Molecular FormulaC7H17N5O2
Molecular Weight203.25 g/mol
Exact Mass203.14
IUPAC Nameaminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNCOC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C7H17N5O2/c8-4-14-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,8-9H2,(H4,10,11,12)/t5-/m0/s1
InChIKeyMPMABMORQMPSSN-YFKPBYRVSA-N
XLogP-2.17
TPSA142.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
3,3-dihydroxypropyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 90331954
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232
(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54219477
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269

Frequently Asked Questions

What is the IUPAC name of aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (CID 139681753) is aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is NCOC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The InChIKey is MPMABMORQMPSSN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H17N5O2/c8-4-14-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,8-9H2,(H4,10,11,12)/t5-/m0/s1.
What are the key properties of aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate has a molecular weight of 203.25 g/mol, XLogP of -2.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 139681753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).