(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid

C10H19NO2 — CID 93297325

IUPAC(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
SMILESCN(C)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-11(2)9(10(12)13)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyJUSDIQNZNWSGSK-VIFPVBQESA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid

(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid (PubChem CID 93297325) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
PubChem CID93297325
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
SMILESCN(C)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-11(2)9(10(12)13)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyJUSDIQNZNWSGSK-VIFPVBQESA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(dimethylamino)acetamide
CID 116914808
2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
CID 116857513
2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
CID 63703998
2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid
CID 63687750
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
CID 63689813
4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
CID 116908291
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
2-cyclohexyl-2-propan-2-ylsulfanylacetic acid
CID 82932331
(2S)-2-cyclohexyl-3-methylbutanoic acid
CID 69470858
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
CID 11852614
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid
CID 11852020

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid?
The IUPAC name of (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid (CID 93297325) is (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid.
What is the SMILES notation for (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid?
The canonical SMILES for (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid is CN(C)[C@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid?
The InChIKey is JUSDIQNZNWSGSK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2)9(10(12)13)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid?
(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-(dimethylamino)acetic acid is sourced from PubChem (CID 93297325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).