2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid

C12H18N2O7 — CID 61329048

IUPAC2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
SMILESCOC(=O)C1CCN(C(=O)NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H18N2O7/c1-20-11(18)8-2-4-14(5-3-8)12(19)13-9(15)6-21-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19)
InChIKeyVRPOPNHIDBZZSO-UHFFFAOYSA-N
MW302.28 g/mol
LogP-0.79
Rot. Bonds5

About 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61329048) has the molecular formula C12H18N2O7 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61329048
Molecular FormulaC12H18N2O7
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
SMILESCOC(=O)C1CCN(C(=O)NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H18N2O7/c1-20-11(18)8-2-4-14(5-3-8)12(19)13-9(15)6-21-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19)
InChIKeyVRPOPNHIDBZZSO-UHFFFAOYSA-N
XLogP-0.79
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethoxy]acetic acid
CID 61328307
2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 61329470
2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 104959235
2-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 43091410
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690
2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61193645
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65217912
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid (CID 61329048) is 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid is COC(=O)C1CCN(C(=O)NC(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is VRPOPNHIDBZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O7/c1-20-11(18)8-2-4-14(5-3-8)12(19)13-9(15)6-21-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,15,19).
What are the key properties of 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 302.28 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).