[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate

C10H18N4O3 — CID 174904347

IUPAC[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate
SMILESNC(N)=NCCC[C@H](N)C(=O)OC(=O)C1CC1
InChIInChI=1S/C10H18N4O3/c11-7(2-1-5-14-10(12)13)9(16)17-8(15)6-3-4-6/h6-7H,1-5,11H2,(H4,12,13,14)/t7-/m0/s1
InChIKeyIDXDMOUTFBRZRE-ZETCQYMHSA-N
MW242.28 g/mol
LogP-1.15
Rot. Bonds6

About [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate

[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate (PubChem CID 174904347) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate
PubChem CID174904347
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate
SMILESNC(N)=NCCC[C@H](N)C(=O)OC(=O)C1CC1
InChIInChI=1S/C10H18N4O3/c11-7(2-1-5-14-10(12)13)9(16)17-8(15)6-3-4-6/h6-7H,1-5,11H2,(H4,12,13,14)/t7-/m0/s1
InChIKeyIDXDMOUTFBRZRE-ZETCQYMHSA-N
XLogP-1.15
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid
CID 57044405
(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid
CID 57280496
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] (2R)-1-[(3,5-dichlorophenyl)methyl]pyrrolidine-2-carboxylate
CID 57002924
1-O-(2-aminoacetyl) 4-O-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] 2,3-dihydroxybutanedioate
CID 174478330
(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54219477

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate?
The IUPAC name of [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate (CID 174904347) is [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate.
What is the SMILES notation for [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate?
The canonical SMILES for [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate is NC(N)=NCCC[C@H](N)C(=O)OC(=O)C1CC1.
What is the InChIKey of [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate?
The InChIKey is IDXDMOUTFBRZRE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N4O3/c11-7(2-1-5-14-10(12)13)9(16)17-8(15)6-3-4-6/h6-7H,1-5,11H2,(H4,12,13,14)/t7-/m0/s1.
What are the key properties of [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate?
[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate has a molecular weight of 242.28 g/mol, XLogP of -1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate is sourced from PubChem (CID 174904347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).