2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid

C10H18N2O4 — CID 57287065

IUPAC2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
SMILESNC1CCC(N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h7-8H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeyKGZLYRWYUJCEJT-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid

2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid (PubChem CID 57287065) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
PubChem CID57287065
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
SMILESNC1CCC(N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h7-8H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeyKGZLYRWYUJCEJT-UHFFFAOYSA-N
XLogP-0.27
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065934
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65066014
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid
CID 76882259
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
amino-(4-aminocyclohexyl)carbamic acid
CID 151916976

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid (CID 57287065) is 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid is NC1CCC(N(CC(=O)O)CC(=O)O)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is KGZLYRWYUJCEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h7-8H,1-6,11H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid?
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 57287065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).