1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride

C9H17ClFN3O — CID 131038227

IUPAC1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C9H16FN3O.ClH/c10-6-3-7(12-4-6)5-13-8(14)9(11)1-2-9;/h6-7,12H,1-5,11H2,(H,13,14);1H/t6-,7-;/m0./s1
InChIKeyXCFZCOKQEPFQAT-LEUCUCNGSA-N
MW237.71 g/mol
LogP-0.28
Rot. Bonds3

About 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 131038227) has the molecular formula C9H17ClFN3O and a molecular weight of 237.71 g/mol. Its IUPAC name is 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID131038227
Molecular FormulaC9H17ClFN3O
Molecular Weight237.71 g/mol
Exact Mass237.10
IUPAC Name1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C9H16FN3O.ClH/c10-6-3-7(12-4-6)5-13-8(14)9(11)1-2-9;/h6-7,12H,1-5,11H2,(H,13,14);1H/t6-,7-;/m0./s1
InChIKeyXCFZCOKQEPFQAT-LEUCUCNGSA-N
XLogP-0.28
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride (CID 131038227) is 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1.
What is the InChIKey of 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is XCFZCOKQEPFQAT-LEUCUCNGSA-N. The full InChI is InChI=1S/C9H16FN3O.ClH/c10-6-3-7(12-4-6)5-13-8(14)9(11)1-2-9;/h6-7,12H,1-5,11H2,(H,13,14);1H/t6-,7-;/m0./s1.
What are the key properties of 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 237.71 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 131038227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).