(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide

C10H17N3O4 — CID 14999614

IUPAC(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H17N3O4/c1-6(15)12-7(5-14)10(17)13-4-2-3-8(13)9(11)16/h7-8,14H,2-5H2,1H3,(H2,11,16)(H,12,15)/t7-,8-/m0/s1
InChIKeyZAMBNSYQLICEOW-YUMQZZPRSA-N
MW243.26 g/mol
LogP-2.04
Rot. Bonds4

About (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide (PubChem CID 14999614) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide
PubChem CID14999614
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H17N3O4/c1-6(15)12-7(5-14)10(17)13-4-2-3-8(13)9(11)16/h7-8,14H,2-5H2,1H3,(H2,11,16)(H,12,15)/t7-,8-/m0/s1
InChIKeyZAMBNSYQLICEOW-YUMQZZPRSA-N
XLogP-2.04
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide (CID 14999614) is (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide is CC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide?
The InChIKey is ZAMBNSYQLICEOW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(15)12-7(5-14)10(17)13-4-2-3-8(13)9(11)16/h7-8,14H,2-5H2,1H3,(H2,11,16)(H,12,15)/t7-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 14999614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).