(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine

C10H25N7O2 — CID 87334568

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
SMILESCCCN=C(N)N.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H11N3/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-3-7-4(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3H2,1H3,(H4,5,6,7)/t4-;/m0./s1
InChIKeyXOIZKOGLKPDINC-WCCKRBBISA-N
MW275.36 g/mol
LogP-1.88
Rot. Bonds7

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine (PubChem CID 87334568) has the molecular formula C10H25N7O2 and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
PubChem CID87334568
Molecular FormulaC10H25N7O2
Molecular Weight275.36 g/mol
Exact Mass275.21
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
SMILESCCCN=C(N)N.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H11N3/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-3-7-4(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3H2,1H3,(H4,5,6,7)/t4-;/m0./s1
InChIKeyXOIZKOGLKPDINC-WCCKRBBISA-N
XLogP-1.88
TPSA192.12 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 5-1.88
H-Bond Donors ≤ 56
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'}

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Related Compounds

(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine (CID 87334568) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine is CCCN=C(N)N.NC(N)=NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine?
The InChIKey is XOIZKOGLKPDINC-WCCKRBBISA-N. The full InChI is InChI=1S/C6H14N4O2.C4H11N3/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-3-7-4(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3H2,1H3,(H4,5,6,7)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine has a molecular weight of 275.36 g/mol, XLogP of -1.88, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine is sourced from PubChem (CID 87334568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).