(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid

C12H24N2O2 — CID 67022413

IUPAC(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCN[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)9-8-13-11(12(15)16)10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyDPDVMMJPGHRTDB-NSHDSACASA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds6

About (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid

(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid (PubChem CID 67022413) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid
PubChem CID67022413
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCN[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)9-8-13-11(12(15)16)10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyDPDVMMJPGHRTDB-NSHDSACASA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid
CID 82837836
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 104575511
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
1-cyclohexyl-1-(ethylamino)propan-2-one
CID 123716073
2-cyclopropyl-2-[4-(dimethylamino)butylcarbamoylamino]acetic acid
CID 55107728
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid?
The IUPAC name of (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid (CID 67022413) is (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid?
The canonical SMILES for (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid is CN(C)CCN[C@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid?
The InChIKey is DPDVMMJPGHRTDB-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(2)9-8-13-11(12(15)16)10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid?
(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid is sourced from PubChem (CID 67022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).