acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide

C17H27N3O5 — CID 154915033

IUPACacetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide
SMILESCC(=O)O.CC[C@H](C)[C@H](N)C(=O)Nc1ccc(NC(=O)COC)cc1
InChIInChI=1S/C15H23N3O3.C2H4O2/c1-4-10(2)14(16)15(20)18-12-7-5-11(6-8-12)17-13(19)9-21-3;1-2(3)4/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H3,(H,3,4)/t10-,14-;/m0./s1
InChIKeyNYDZPQKLOJYDLD-LPJGFKLNSA-N
MW353.42 g/mol
LogP1.67
Rot. Bonds7

About acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide

acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide (PubChem CID 154915033) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide.

Molecular Properties

Compound Nameacetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide
PubChem CID154915033
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Nameacetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide
SMILESCC(=O)O.CC[C@H](C)[C@H](N)C(=O)Nc1ccc(NC(=O)COC)cc1
InChIInChI=1S/C15H23N3O3.C2H4O2/c1-4-10(2)14(16)15(20)18-12-7-5-11(6-8-12)17-13(19)9-21-3;1-2(3)4/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H3,(H,3,4)/t10-,14-;/m0./s1
InChIKeyNYDZPQKLOJYDLD-LPJGFKLNSA-N
XLogP1.67
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide with MolForge

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Related Compounds

N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide?
The IUPAC name of acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide (CID 154915033) is acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide.
What is the SMILES notation for acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide?
The canonical SMILES for acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide is CC(=O)O.CC[C@H](C)[C@H](N)C(=O)Nc1ccc(NC(=O)COC)cc1.
What is the InChIKey of acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide?
The InChIKey is NYDZPQKLOJYDLD-LPJGFKLNSA-N. The full InChI is InChI=1S/C15H23N3O3.C2H4O2/c1-4-10(2)14(16)15(20)18-12-7-5-11(6-8-12)17-13(19)9-21-3;1-2(3)4/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H3,(H,3,4)/t10-,14-;/m0./s1.
What are the key properties of acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide?
acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide has a molecular weight of 353.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide is sourced from PubChem (CID 154915033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).