(2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide

C13H27N3O3 — CID 170122942

IUPAC(2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCCOC(CN(C(=O)[C@H](C)N)[C@@H]1CCNC1)OCC
InChIInChI=1S/C13H27N3O3/c1-4-18-12(19-5-2)9-16(13(17)10(3)14)11-6-7-15-8-11/h10-12,15H,4-9,14H2,1-3H3/t10-,11+/m0/s1
InChIKeyVWRMZOHAOWWZAG-WDEREUQCSA-N
MW273.38 g/mol
LogP-0.08
Rot. Bonds8

About (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide

(2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide (PubChem CID 170122942) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide
PubChem CID170122942
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCCOC(CN(C(=O)[C@H](C)N)[C@@H]1CCNC1)OCC
InChIInChI=1S/C13H27N3O3/c1-4-18-12(19-5-2)9-16(13(17)10(3)14)11-6-7-15-8-11/h10-12,15H,4-9,14H2,1-3H3/t10-,11+/m0/s1
InChIKeyVWRMZOHAOWWZAG-WDEREUQCSA-N
XLogP-0.08
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 61146341
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
N,2-diethyl-N-pyrrolidin-3-ylbutanamide
CID 60805502
N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine
CID 63616998
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
CID 63299827
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide (CID 170122942) is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide is CCOC(CN(C(=O)[C@H](C)N)[C@@H]1CCNC1)OCC.
What is the InChIKey of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
The InChIKey is VWRMZOHAOWWZAG-WDEREUQCSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-4-18-12(19-5-2)9-16(13(17)10(3)14)11-6-7-15-8-11/h10-12,15H,4-9,14H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide has a molecular weight of 273.38 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 170122942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).