2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid

C12H23N3O3 — CID 79257255

IUPAC2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CCC(NC(=O)N(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)13-9-5-6-14(4)7-9/h9H,5-8H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyIGJMCLIJZZWFLV-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.59
Rot. Bonds3

About 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid

2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 79257255) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID79257255
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CCC(NC(=O)N(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)13-9-5-6-14(4)7-9/h9H,5-8H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyIGJMCLIJZZWFLV-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63645788
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
CID 79257337
2-[tert-butyl-[(1-oxothian-4-yl)carbamoyl]amino]acetic acid
CID 113480342
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 61223104
2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549087
3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79257016
2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid
CID 79257267

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid (CID 79257255) is 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid is CN1CCC(NC(=O)N(CC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is IGJMCLIJZZWFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)13-9-5-6-14(4)7-9/h9H,5-8H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79257255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).