(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid

C11H21NO4 — CID 107144537

IUPAC(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)COC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-6-9(11(14)15)12-10(13)7-16-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyWYNHQSIIQGKWPZ-VIFPVBQESA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds8

About (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid

(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid (PubChem CID 107144537) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid
PubChem CID107144537
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)COC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-6-9(11(14)15)12-10(13)7-16-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyWYNHQSIIQGKWPZ-VIFPVBQESA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
2-[(2-propan-2-ylsulfanylacetyl)amino]hexanoic acid
CID 43469805
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
CID 122039513
2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 115923937
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
(2S)-2-(3,5-dimethylhexanoylamino)hexanoic acid
CID 120614230
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
2-[(2-butylsulfanylacetyl)amino]hexanoic acid
CID 43469712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid (CID 107144537) is (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid is CCCC[C@H](NC(=O)COC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid?
The InChIKey is WYNHQSIIQGKWPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-5-6-9(11(14)15)12-10(13)7-16-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid?
(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid is sourced from PubChem (CID 107144537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).