2-(carboxymethylamino)-2-cyclopropylpropanedioic acid

C8H11NO6 — CID 70180672

IUPAC2-(carboxymethylamino)-2-cyclopropylpropanedioic acid
SMILESO=C(O)CNC(C(=O)O)(C(=O)O)C1CC1
InChIInChI=1S/C8H11NO6/c10-5(11)3-9-8(6(12)13,7(14)15)4-1-2-4/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyZAGGDDZSAZGRDS-UHFFFAOYSA-N
MW217.18 g/mol
LogP-1.02
Rot. Bonds6

About 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid

2-(carboxymethylamino)-2-cyclopropylpropanedioic acid (PubChem CID 70180672) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)-2-cyclopropylpropanedioic acid
PubChem CID70180672
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name2-(carboxymethylamino)-2-cyclopropylpropanedioic acid
SMILESO=C(O)CNC(C(=O)O)(C(=O)O)C1CC1
InChIInChI=1S/C8H11NO6/c10-5(11)3-9-8(6(12)13,7(14)15)4-1-2-4/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyZAGGDDZSAZGRDS-UHFFFAOYSA-N
XLogP-1.02
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3-dicyclopropyl-3-hydroxypropanoic acid
CID 18626409
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 114987732
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-(cyclopropylamino)acetic acid
CID 21197388
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
3-cyclopropyl-3-(ethylamino)butanoic acid
CID 65234034
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
2-cyclopentyl-2-hydroxybutanedioic acid
CID 165483001

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid?
The IUPAC name of 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid (CID 70180672) is 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid.
What is the SMILES notation for 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid?
The canonical SMILES for 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid is O=C(O)CNC(C(=O)O)(C(=O)O)C1CC1.
What is the InChIKey of 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid?
The InChIKey is ZAGGDDZSAZGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c10-5(11)3-9-8(6(12)13,7(14)15)4-1-2-4/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid?
2-(carboxymethylamino)-2-cyclopropylpropanedioic acid has a molecular weight of 217.18 g/mol, XLogP of -1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)-2-cyclopropylpropanedioic acid is sourced from PubChem (CID 70180672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).