(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide

C7H13N3O2 — CID 12800403

IUPAC(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H13N3O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4,8H2,(H2,9,12)/t5-/m0/s1
InChIKeyLENAFVMQJFJAGN-YFKPBYRVSA-N
MW171.20 g/mol
LogP-1.58
Rot. Bonds2

About (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide (PubChem CID 12800403) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide
PubChem CID12800403
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H13N3O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4,8H2,(H2,9,12)/t5-/m0/s1
InChIKeyLENAFVMQJFJAGN-YFKPBYRVSA-N
XLogP-1.58
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide (CID 12800403) is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide is NCC(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide?
The InChIKey is LENAFVMQJFJAGN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4,8H2,(H2,9,12)/t5-/m0/s1.
What are the key properties of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide?
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide has a molecular weight of 171.20 g/mol, XLogP of -1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 12800403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).