2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine

C18H31N3O4 — CID 67982229

IUPAC2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine
SMILESCC(=O)NC(CCCN)C(=O)O.Cc1cccc(C)c1OCC(C)N
InChIInChI=1S/C11H17NO.C7H14N2O3/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;1-5(10)9-6(7(11)12)3-2-4-8/h4-6,10H,7,12H2,1-3H3;6H,2-4,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyYDNHRVKYUYENJV-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.34
Rot. Bonds8

About 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine

2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine (PubChem CID 67982229) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine.

Molecular Properties

Compound Name2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine
PubChem CID67982229
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine
SMILESCC(=O)NC(CCCN)C(=O)O.Cc1cccc(C)c1OCC(C)N
InChIInChI=1S/C11H17NO.C7H14N2O3/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;1-5(10)9-6(7(11)12)3-2-4-8/h4-6,10H,7,12H2,1-3H3;6H,2-4,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyYDNHRVKYUYENJV-UHFFFAOYSA-N
XLogP1.34
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 159030403
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777
(2R)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107823695
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142
(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoic acid
CID 134687092
2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide
CID 120992421
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808
(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
CID 57295960
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
(2S)-6-amino-2-[[3-(2,3-dimethylanilino)-3-oxopropanoyl]amino]hexanoic acid
CID 50977803
[5-amino-6-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-6-oxohexyl]-trimethylazanium;sulfane;chloride;hydrochloride
CID 159039880

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine?
The IUPAC name of 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine (CID 67982229) is 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine.
What is the SMILES notation for 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine?
The canonical SMILES for 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine is CC(=O)NC(CCCN)C(=O)O.Cc1cccc(C)c1OCC(C)N.
What is the InChIKey of 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine?
The InChIKey is YDNHRVKYUYENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C7H14N2O3/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;1-5(10)9-6(7(11)12)3-2-4-8/h4-6,10H,7,12H2,1-3H3;6H,2-4,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine?
2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine has a molecular weight of 353.46 g/mol, XLogP of 1.34, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine is sourced from PubChem (CID 67982229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).