2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid

C15H29N3O3 — CID 63064056

IUPAC2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-11(2)8-18(10-14(19)20)15(21)16-7-13-5-6-17(9-13)12(3)4/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyYGUPOSTXUBNVJF-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid

2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 63064056) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid
PubChem CID63064056
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-11(2)8-18(10-14(19)20)15(21)16-7-13-5-6-17(9-13)12(3)4/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyYGUPOSTXUBNVJF-UHFFFAOYSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 63064057
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
(2S)-2-hydroxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 107839496
2-cyclopropyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]acetic acid
CID 62711409
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 65065595
2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
CID 79815179
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid
CID 63066698
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid (CID 63064056) is 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCC1CCN(C(C)C)C1.
What is the InChIKey of 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is YGUPOSTXUBNVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)8-18(10-14(19)20)15(21)16-7-13-5-6-17(9-13)12(3)4/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid?
2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 299.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63064056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).