N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide

C13H17N3O3 — CID 82034964

IUPACN-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
SMILESNCC(=O)Nc1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C13H17N3O3/c14-8-12(17)15-9-4-1-2-5-10(9)16-13(18)11-6-3-7-19-11/h1-2,4-5,11H,3,6-8,14H2,(H,15,17)(H,16,18)
InChIKeyJVJCJBGYBLBHKB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.70
Rot. Bonds4

About N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide

N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 82034964) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID82034964
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
SMILESNCC(=O)Nc1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C13H17N3O3/c14-8-12(17)15-9-4-1-2-5-10(9)16-13(18)11-6-3-7-19-11/h1-2,4-5,11H,3,6-8,14H2,(H,15,17)(H,16,18)
InChIKeyJVJCJBGYBLBHKB-UHFFFAOYSA-N
XLogP0.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
CID 82034974
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide
CID 2973789
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-phenyloxolane-2-carboxamide
CID 3453643
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide (CID 82034964) is N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide is NCC(=O)Nc1ccccc1NC(=O)C1CCCO1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is JVJCJBGYBLBHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-8-12(17)15-9-4-1-2-5-10(9)16-13(18)11-6-3-7-19-11/h1-2,4-5,11H,3,6-8,14H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide?
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 82034964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).