(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide

C10H21N3O — CID 79025416

IUPAC(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCC[C@H](N)C(=O)NCCN1CCCC1
InChIInChI=1S/C10H21N3O/c1-2-9(11)10(14)12-5-8-13-6-3-4-7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyZZGFABVOHOGEQW-VIFPVBQESA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds5

About (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide

(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 79025416) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
PubChem CID79025416
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCC[C@H](N)C(=O)NCCN1CCCC1
InChIInChI=1S/C10H21N3O/c1-2-9(11)10(14)12-5-8-13-6-3-4-7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyZZGFABVOHOGEQW-VIFPVBQESA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
CID 119895445
2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 43516867
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 155960645
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
2-ethyl-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 71199259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide (CID 79025416) is (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide is CC[C@H](N)C(=O)NCCN1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is ZZGFABVOHOGEQW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-9(11)10(14)12-5-8-13-6-3-4-7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide?
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 79025416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).