(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide

C11H19N3O3 — CID 140985242

IUPAC(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCCCNC(=O)[C@@H]1OC=C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C11H19N3O3/c1-3-5-13-11(16)10-9(14-7(2)15)8(12)4-6-17-10/h4,6,8-10H,3,5,12H2,1-2H3,(H,13,16)(H,14,15)/t8-,9+,10+/m0/s1
InChIKeyOSIPSGIBIRICQO-IVZWLZJFSA-N
MW241.29 g/mol
LogP-0.74
Rot. Bonds4

About (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide

(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 140985242) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID140985242
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCCCNC(=O)[C@@H]1OC=C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C11H19N3O3/c1-3-5-13-11(16)10-9(14-7(2)15)8(12)4-6-17-10/h4,6,8-10H,3,5,12H2,1-2H3,(H,13,16)(H,14,15)/t8-,9+,10+/m0/s1
InChIKeyOSIPSGIBIRICQO-IVZWLZJFSA-N
XLogP-0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide
CID 152662040
(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one
CID 58593540
[(2R,3R,4S)-3-acetamido-4-amino-2-(dipropylcarbamoyl)-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate
CID 70196781
[(2R,3R,4S)-3-acetamido-4-amino-2-[butyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate
CID 70199483
[(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate
CID 70199922
[(2R,3R,4S)-3-acetamido-4-amino-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate
CID 70200267
(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 140985245
N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 141179173
2-[(E)-2-(methylamino)pent-3-enyl]morpholin-3-one
CID 23594719
N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
CID 62065283
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one
CID 64655286
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 104418152

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide (CID 140985242) is (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide is CCCNC(=O)[C@@H]1OC=C[C@H](N)[C@H]1NC(C)=O.
What is the InChIKey of (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is OSIPSGIBIRICQO-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-5-13-11(16)10-9(14-7(2)15)8(12)4-6-17-10/h4,6,8-10H,3,5,12H2,1-2H3,(H,13,16)(H,14,15)/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide?
(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 140985242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).