2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid

C10H18N2O4 — CID 18528605

IUPAC2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H18N2O4/c13-8-4-2-1-3-7(8)11-5-9(14)12-6-10(15)16/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7-,8-/m1/s1
InChIKeyOKSBPAXMUZVFPK-HTQZYQBOSA-N
MW230.26 g/mol
LogP-0.92
Rot. Bonds5

About 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid

2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid (PubChem CID 18528605) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid
PubChem CID18528605
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H18N2O4/c13-8-4-2-1-3-7(8)11-5-9(14)12-6-10(15)16/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7-,8-/m1/s1
InChIKeyOKSBPAXMUZVFPK-HTQZYQBOSA-N
XLogP-0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
N-ethyl-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]acetamide
CID 93346249
N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
CID 113394731
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide
CID 62359661
2-[(2-hydroxycyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 62360034
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
2-[(2-hydroxycyclohexyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 62360031
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
4-[(2-hydroxycycloheptyl)amino]-2-methylbut-2-enoic acid
CID 103262912
N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid (CID 18528605) is 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid?
The InChIKey is OKSBPAXMUZVFPK-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-8-4-2-1-3-7(8)11-5-9(14)12-6-10(15)16/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7-,8-/m1/s1.
What are the key properties of 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 18528605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).