2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid

C14H22N2O6 — CID 135255076

IUPAC2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid
SMILESCC1(C)[C@H](C(=O)NCC(=O)O)CC[C@@]1(C)C(=O)NCC(=O)O
InChIInChI=1S/C14H22N2O6/c1-13(2)8(11(21)15-6-9(17)18)4-5-14(13,3)12(22)16-7-10(19)20/h8H,4-7H2,1-3H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)/t8-,14-/m0/s1
InChIKeyBABLAMQNXJOMQY-RTHLEPHNSA-N
MW314.34 g/mol
LogP-0.17
Rot. Bonds6

About 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid

2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid (PubChem CID 135255076) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid
PubChem CID135255076
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid
SMILESCC1(C)[C@H](C(=O)NCC(=O)O)CC[C@@]1(C)C(=O)NCC(=O)O
InChIInChI=1S/C14H22N2O6/c1-13(2)8(11(21)15-6-9(17)18)4-5-14(13,3)12(22)16-7-10(19)20/h8H,4-7H2,1-3H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)/t8-,14-/m0/s1
InChIKeyBABLAMQNXJOMQY-RTHLEPHNSA-N
XLogP-0.17
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid with MolForge

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Related Compounds

Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid
CID 383825
2-[(2-Cyclopentyl-2-methylpropanoyl)amino]-3-fluoropropanoic acid
CID 121945200
3-[({(1R*,3S*)-3-[(ethylamino)carbonyl]-1,2,2-trimethylcyclopentyl}carbonyl)amino]propanoic acid
CID 50948789
Methyl 2-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]propanoate
CID 13906641
3-(Carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 18185068
methyl (2S)-2-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]propanoate
CID 53783731
trans-(1S,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 69989474
2-[[8-(Carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid
CID 90365415
2-[4-[3-(2-Ethyl-3-methylcyclodecyl)-2-methylcyclopentyl]butanoylamino]acetic acid
CID 123666684
methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate
CID 135255072
2-[(1,2,2-Trimethylcyclopentanecarbonyl)amino]acetic acid
CID 135255077
2-[Carboxymethyl-[3-(2,4,4-trimethylheptanoylamino)propanoyl]amino]acetic acid
CID 137384322

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid (CID 135255076) is 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid is CC1(C)[C@H](C(=O)NCC(=O)O)CC[C@@]1(C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid?
The InChIKey is BABLAMQNXJOMQY-RTHLEPHNSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-13(2)8(11(21)15-6-9(17)18)4-5-14(13,3)12(22)16-7-10(19)20/h8H,4-7H2,1-3H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)/t8-,14-/m0/s1.
What are the key properties of 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid?
2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid has a molecular weight of 314.34 g/mol, XLogP of -0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid is sourced from PubChem (CID 135255076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).