(3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid

C12H23N3O3 — CID 5278230

IUPAC(3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1
InChIInChI=1S/C12H23N3O3/c1-3-5-14(6-4-2)12(18)15-7-9(11(16)17)10(13)8-15/h9-10H,3-8,13H2,1-2H3,(H,16,17)/t9-,10+/m0/s1
InChIKeyNDPDHIAURPITPI-VHSXEESVSA-N
MW257.33 g/mol
LogP0.57
Rot. Bonds5

About (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid

(3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 5278230) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID5278230
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1
InChIInChI=1S/C12H23N3O3/c1-3-5-14(6-4-2)12(18)15-7-9(11(16)17)10(13)8-15/h9-10H,3-8,13H2,1-2H3,(H,16,17)/t9-,10+/m0/s1
InChIKeyNDPDHIAURPITPI-VHSXEESVSA-N
XLogP0.57
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 5278230) is (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid is CCCN(CCC)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1.
What is the InChIKey of (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NDPDHIAURPITPI-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-5-14(6-4-2)12(18)15-7-9(11(16)17)10(13)8-15/h9-10H,3-8,13H2,1-2H3,(H,16,17)/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid?
(3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 5278230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).