(2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid

C11H21N3O3 — CID 67154448

IUPAC(2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1(C)CCCN1C(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-11(2)5-3-7-14(11)10(17)13-6-4-8(12)9(15)16/h8H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeySETLKRVVZPPDHD-QMMMGPOBSA-N
MW243.31 g/mol
LogP0.37
Rot. Bonds4

About (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid

(2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 67154448) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID67154448
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1(C)CCCN1C(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-11(2)5-3-7-14(11)10(17)13-6-4-8(12)9(15)16/h8H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeySETLKRVVZPPDHD-QMMMGPOBSA-N
XLogP0.37
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 67154448) is (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid is CC1(C)CCCN1C(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is SETLKRVVZPPDHD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2)5-3-7-14(11)10(17)13-6-4-8(12)9(15)16/h8H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
(2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 67154448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).