4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide

C15H22N2O2 — CID 129397487

IUPAC4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
SMILESNCCCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C15H22N2O2/c16-10-4-9-14(18)17-15(13-8-5-11-19-13)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11,16H2,(H,17,18)/t13-,15+/m0/s1
InChIKeyCHKCZTKGIWQVIF-DZGCQCFKSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds6

About 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide

4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide (PubChem CID 129397487) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
PubChem CID129397487
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
SMILESNCCCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C15H22N2O2/c16-10-4-9-14(18)17-15(13-8-5-11-19-13)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11,16H2,(H,17,18)/t13-,15+/m0/s1
InChIKeyCHKCZTKGIWQVIF-DZGCQCFKSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide?
The IUPAC name of 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide (CID 129397487) is 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide.
What is the SMILES notation for 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide?
The canonical SMILES for 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide is NCCCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1.
What is the InChIKey of 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide?
The InChIKey is CHKCZTKGIWQVIF-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-10-4-9-14(18)17-15(13-8-5-11-19-13)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11,16H2,(H,17,18)/t13-,15+/m0/s1.
What are the key properties of 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide?
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide is sourced from PubChem (CID 129397487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).