cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid

C9H20N4O5S — CID 3058315

IUPACcis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)CCNC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C9H18N4O.H2O4S/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12;1-5(2,3)4/h6-7H,1-5,10H2,(H3,11,12)(H,13,14);(H2,1,2,3,4)/t6-,7+;/m1./s1
InChIKeyNMHDSMZGHKDICJ-HHQFNNIRSA-N
MW296.35 g/mol
LogP-1.10
Rot. Bonds4

About cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid

cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid (PubChem CID 3058315) has the molecular formula C9H20N4O5S and a molecular weight of 296.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid
PubChem CID3058315
Molecular FormulaC9H20N4O5S
Molecular Weight296.35 g/mol
Exact Mass296.12
IUPAC Namecis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)CCNC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C9H18N4O.H2O4S/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12;1-5(2,3)4/h6-7H,1-5,10H2,(H3,11,12)(H,13,14);(H2,1,2,3,4)/t6-,7+;/m1./s1
InChIKeyNMHDSMZGHKDICJ-HHQFNNIRSA-N
XLogP-1.10
TPSA179.59 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.35
LogP ≤ 5-1.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
CID 10012974
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
3-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119745932
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115739203
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid?
The IUPAC name of cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid (CID 3058315) is cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid?
The canonical SMILES for cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid is O=S(=O)(O)O.[H]/N=C(\N)CCNC(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid?
The InChIKey is NMHDSMZGHKDICJ-HHQFNNIRSA-N. The full InChI is InChI=1S/C9H18N4O.H2O4S/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12;1-5(2,3)4/h6-7H,1-5,10H2,(H3,11,12)(H,13,14);(H2,1,2,3,4)/t6-,7+;/m1./s1.
What are the key properties of cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid?
cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid has a molecular weight of 296.35 g/mol, XLogP of -1.10, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid is sourced from PubChem (CID 3058315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).