2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid

C10H18N2O4 — CID 169177678

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid
SMILESCC(C)N1CCC(OC(=O)NCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)12-4-3-8(6-12)16-10(15)11-5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyAXXNTTVOHVIGAP-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

About 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid

2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid (PubChem CID 169177678) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid
PubChem CID169177678
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid
SMILESCC(C)N1CCC(OC(=O)NCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)12-4-3-8(6-12)16-10(15)11-5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyAXXNTTVOHVIGAP-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 174111241
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
N,N-dimethyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyacetamide
CID 59988887
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 65065595
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 65056765
[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate
CID 90971146
3-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 103540425
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid (CID 169177678) is 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid is CC(C)N1CCC(OC(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid?
The InChIKey is AXXNTTVOHVIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(2)12-4-3-8(6-12)16-10(15)11-5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid?
2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 169177678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).