N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide

C5H10FN3O — CID 89418457

IUPACN-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide
SMILES[H]/N=C/C(F)[C@@H](N)NC(C)=O
InChIInChI=1S/C5H10FN3O/c1-3(10)9-5(8)4(6)2-7/h2,4-5,7H,8H2,1H3,(H,9,10)/b7-2+/t4?,5-/m0/s1
InChIKeyDXYCQGCTXRMNLO-HJMPUQPSSA-N
MW147.15 g/mol
LogP-0.61
Rot. Bonds3

About N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide

N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide (PubChem CID 89418457) has the molecular formula C5H10FN3O and a molecular weight of 147.15 g/mol. Its IUPAC name is N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide
PubChem CID89418457
Molecular FormulaC5H10FN3O
Molecular Weight147.15 g/mol
Exact Mass147.08
IUPAC NameN-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide
SMILES[H]/N=C/C(F)[C@@H](N)NC(C)=O
InChIInChI=1S/C5H10FN3O/c1-3(10)9-5(8)4(6)2-7/h2,4-5,7H,8H2,1H3,(H,9,10)/b7-2+/t4?,5-/m0/s1
InChIKeyDXYCQGCTXRMNLO-HJMPUQPSSA-N
XLogP-0.61
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide?
The IUPAC name of N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide (CID 89418457) is N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide.
What is the SMILES notation for N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide?
The canonical SMILES for N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide is [H]/N=C/C(F)[C@@H](N)NC(C)=O.
What is the InChIKey of N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide?
The InChIKey is DXYCQGCTXRMNLO-HJMPUQPSSA-N. The full InChI is InChI=1S/C5H10FN3O/c1-3(10)9-5(8)4(6)2-7/h2,4-5,7H,8H2,1H3,(H,9,10)/b7-2+/t4?,5-/m0/s1.
What are the key properties of N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide?
N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide has a molecular weight of 147.15 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-amino-2-fluoro-3-iminopropyl]acetamide is sourced from PubChem (CID 89418457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).