6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid

C18H35N3O5 — CID 129035829

IUPAC6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid
SMILESCC(=O)NCCC(C)(C)OCC(C)(C)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C18H35N3O5/c1-13(22)20-11-9-18(4,5)26-12-17(2,3)16(25)21-10-7-6-8-14(19)15(23)24/h14H,6-12,19H2,1-5H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyUYNDIEKLXAGTOY-UHFFFAOYSA-N
MW373.49 g/mol
LogP1.03
Rot. Bonds13

About 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid

6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid (PubChem CID 129035829) has the molecular formula C18H35N3O5 and a molecular weight of 373.49 g/mol. Its IUPAC name is 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid.

Molecular Properties

Compound Name6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid
PubChem CID129035829
Molecular FormulaC18H35N3O5
Molecular Weight373.49 g/mol
Exact Mass373.26
IUPAC Name6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid
SMILESCC(=O)NCCC(C)(C)OCC(C)(C)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C18H35N3O5/c1-13(22)20-11-9-18(4,5)26-12-17(2,3)16(25)21-10-7-6-8-14(19)15(23)24/h14H,6-12,19H2,1-5H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyUYNDIEKLXAGTOY-UHFFFAOYSA-N
XLogP1.03
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid with MolForge

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Related Compounds

2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2S)-6-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-aminohexanoic acid
CID 134198402
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid
CID 88581012
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
CID 87110620
3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid
CID 175463693

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid?
The IUPAC name of 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid (CID 129035829) is 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid.
What is the SMILES notation for 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid?
The canonical SMILES for 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid is CC(=O)NCCC(C)(C)OCC(C)(C)C(=O)NCCCCC(N)C(=O)O.
What is the InChIKey of 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid?
The InChIKey is UYNDIEKLXAGTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O5/c1-13(22)20-11-9-18(4,5)26-12-17(2,3)16(25)21-10-7-6-8-14(19)15(23)24/h14H,6-12,19H2,1-5H3,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid?
6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid has a molecular weight of 373.49 g/mol, XLogP of 1.03, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid is sourced from PubChem (CID 129035829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).