(3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride

C11H21ClN4O3 — CID 162695702

IUPAC(3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride
SMILESCl.N[C@@H](CN1CCCNC1=O)C(O)C(=O)NC1CC1
InChIInChI=1S/C11H20N4O3.ClH/c12-8(6-15-5-1-4-13-11(15)18)9(16)10(17)14-7-2-3-7;/h7-9,16H,1-6,12H2,(H,13,18)(H,14,17);1H/t8-,9?;/m0./s1
InChIKeySKGOESUTWKAMBX-GUORDYTPSA-N
MW292.77 g/mol
LogP-1.21
Rot. Bonds5

About (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride

(3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride (PubChem CID 162695702) has the molecular formula C11H21ClN4O3 and a molecular weight of 292.77 g/mol. Its IUPAC name is (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride
PubChem CID162695702
Molecular FormulaC11H21ClN4O3
Molecular Weight292.77 g/mol
Exact Mass292.13
IUPAC Name(3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride
SMILESCl.N[C@@H](CN1CCCNC1=O)C(O)C(=O)NC1CC1
InChIInChI=1S/C11H20N4O3.ClH/c12-8(6-15-5-1-4-13-11(15)18)9(16)10(17)14-7-2-3-7;/h7-9,16H,1-6,12H2,(H,13,18)(H,14,17);1H/t8-,9?;/m0./s1
InChIKeySKGOESUTWKAMBX-GUORDYTPSA-N
XLogP-1.21
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride?
The IUPAC name of (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride (CID 162695702) is (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride.
What is the SMILES notation for (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride?
The canonical SMILES for (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride is Cl.N[C@@H](CN1CCCNC1=O)C(O)C(=O)NC1CC1.
What is the InChIKey of (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride?
The InChIKey is SKGOESUTWKAMBX-GUORDYTPSA-N. The full InChI is InChI=1S/C11H20N4O3.ClH/c12-8(6-15-5-1-4-13-11(15)18)9(16)10(17)14-7-2-3-7;/h7-9,16H,1-6,12H2,(H,13,18)(H,14,17);1H/t8-,9?;/m0./s1.
What are the key properties of (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride?
(3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of -1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-(2-oxo-1,3-diazinan-1-yl)butanamide;hydrochloride is sourced from PubChem (CID 162695702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).