2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid

C10H18N2O4 — CID 57123827

IUPAC2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid
SMILESNC1(N)CCCCC1(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O4/c11-10(12)4-2-1-3-9(10,5-7(13)14)6-8(15)16/h1-6,11-12H2,(H,13,14)(H,15,16)
InChIKeyNREVHULJRUUUBG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.11
Rot. Bonds4

About 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid

2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid (PubChem CID 57123827) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid
PubChem CID57123827
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid
SMILESNC1(N)CCCCC1(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O4/c11-10(12)4-2-1-3-9(10,5-7(13)14)6-8(15)16/h1-6,11-12H2,(H,13,14)(H,15,16)
InChIKeyNREVHULJRUUUBG-UHFFFAOYSA-N
XLogP0.11
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(aminomethyl)cyclohexane-1,1-diamine
CID 67262117
2,2-dipropylcyclohexane-1,1-diamine
CID 175187242
2-[1,3-diamino-2,2,3-tris(carboxymethyl)cyclohexyl]acetic acid
CID 19076854
tris(2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate);tetrakis(iron(3+))
CID 19025314
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[6-(2-amino-2-oxoethyl)-5,5-bis(carboxymethyl)-1,2,3,4-tetrazacyclododec-6-yl]acetic acid
CID 175882712
2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid
CID 103272470
2-(1-amino-2-tert-butylcyclohexyl)acetic acid
CID 64663875

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid (CID 57123827) is 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid is NC1(N)CCCCC1(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid?
The InChIKey is NREVHULJRUUUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-10(12)4-2-1-3-9(10,5-7(13)14)6-8(15)16/h1-6,11-12H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid?
2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 57123827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).