2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid

C10H17N3O4 — CID 54899672

IUPAC2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESNC(=O)NC(=O)CN1CCCCC1CC(=O)O
InChIInChI=1S/C10H17N3O4/c11-10(17)12-8(14)6-13-4-2-1-3-7(13)5-9(15)16/h7H,1-6H2,(H,15,16)(H3,11,12,14,17)
InChIKeyNBOVVZWONVHSKN-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.49
Rot. Bonds4

About 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid

2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid (PubChem CID 54899672) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
PubChem CID54899672
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESNC(=O)NC(=O)CN1CCCCC1CC(=O)O
InChIInChI=1S/C10H17N3O4/c11-10(17)12-8(14)6-13-4-2-1-3-7(13)5-9(15)16/h7H,1-6H2,(H,15,16)(H3,11,12,14,17)
InChIKeyNBOVVZWONVHSKN-UHFFFAOYSA-N
XLogP-0.49
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 93438414
2-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899533
2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370516
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-2-yl]acetic acid
CID 62325216
2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370340
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009845

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid (CID 54899672) is 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid is NC(=O)NC(=O)CN1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The InChIKey is NBOVVZWONVHSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-10(17)12-8(14)6-13-4-2-1-3-7(13)5-9(15)16/h7H,1-6H2,(H,15,16)(H3,11,12,14,17).
What are the key properties of 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).