(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide

C12H23N3O3 — CID 70564093

IUPAC(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-7-8(13)11(17)15-6-4-5-9(15)10(14)16/h8-9H,4-7,13H2,1-3H3,(H2,14,16)/t8-,9-/m0/s1
InChIKeyDROAOPYRGHUSDO-IUCAKERBSA-N
MW257.33 g/mol
LogP-0.39
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide (PubChem CID 70564093) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide
PubChem CID70564093
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-7-8(13)11(17)15-6-4-5-9(15)10(14)16/h8-9H,4-7,13H2,1-3H3,(H2,14,16)/t8-,9-/m0/s1
InChIKeyDROAOPYRGHUSDO-IUCAKERBSA-N
XLogP-0.39
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 54233677
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
CID 112604323
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
butane;molecular hydrogen;(2S)-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143355463
1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
CID 84951908
ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537911
2-amino-3-methoxy-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 120990207

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide (CID 70564093) is (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide is CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is DROAOPYRGHUSDO-IUCAKERBSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)18-7-8(13)11(17)15-6-4-5-9(15)10(14)16/h8-9H,4-7,13H2,1-3H3,(H2,14,16)/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70564093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).