(1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide

C8H16N4O — CID 163561143

IUPAC(1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILES[H]/N=C(\N)C(C)NC(=O)[C@]1(N)CC1C
InChIInChI=1S/C8H16N4O/c1-4-3-8(4,11)7(13)12-5(2)6(9)10/h4-5H,3,11H2,1-2H3,(H3,9,10)(H,12,13)/t4?,5?,8-/m0/s1
InChIKeyFRHSXCVMDNHPMI-YXFGPURMSA-N
MW184.24 g/mol
LogP-0.84
Rot. Bonds3

About (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide

(1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 163561143) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID163561143
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILES[H]/N=C(\N)C(C)NC(=O)[C@]1(N)CC1C
InChIInChI=1S/C8H16N4O/c1-4-3-8(4,11)7(13)12-5(2)6(9)10/h4-5H,3,11H2,1-2H3,(H3,9,10)(H,12,13)/t4?,5?,8-/m0/s1
InChIKeyFRHSXCVMDNHPMI-YXFGPURMSA-N
XLogP-0.84
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide (CID 163561143) is (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide is [H]/N=C(\N)C(C)NC(=O)[C@]1(N)CC1C.
What is the InChIKey of (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is FRHSXCVMDNHPMI-YXFGPURMSA-N. The full InChI is InChI=1S/C8H16N4O/c1-4-3-8(4,11)7(13)12-5(2)6(9)10/h4-5H,3,11H2,1-2H3,(H3,9,10)(H,12,13)/t4?,5?,8-/m0/s1.
What are the key properties of (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
(1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-N-(1-amino-1-iminopropan-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 163561143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).