2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C11H20N2O4 — CID 104552989

IUPAC2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(CO)N(C)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(7-14)12(2)11(17)13-5-3-4-9(13)6-10(15)16/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyJTQFXXBEBZDHLW-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.36
Rot. Bonds4

About 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 104552989) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID104552989
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(CO)N(C)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(7-14)12(2)11(17)13-5-3-4-9(13)6-10(15)16/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyJTQFXXBEBZDHLW-UHFFFAOYSA-N
XLogP0.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
2-[1-[(4-ethylcyclohexyl)-methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61449491
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55257886
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369802
2-[1-[methyl(3-methylsulfanylpropyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114237788
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133
2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
CID 129468360
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62637552
2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-methylamino]butanoic acid
CID 62479586
2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61447659

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 104552989) is 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid is CC(CO)N(C)C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is JTQFXXBEBZDHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(7-14)12(2)11(17)13-5-3-4-9(13)6-10(15)16/h8-9,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 104552989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).