(2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide

C12H25N3O2 — CID 67248756

IUPAC(2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide
SMILESC[C@@H](CCCCN1CCOCC1)[C@@H](N)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-10(11(13)12(14)16)4-2-3-5-15-6-8-17-9-7-15/h10-11H,2-9,13H2,1H3,(H2,14,16)/t10-,11+/m0/s1
InChIKeyKAQAEXZPPITGLC-WDEREUQCSA-N
MW243.35 g/mol
LogP-0.06
Rot. Bonds7

About (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide

(2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide (PubChem CID 67248756) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide
PubChem CID67248756
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide
SMILESC[C@@H](CCCCN1CCOCC1)[C@@H](N)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-10(11(13)12(14)16)4-2-3-5-15-6-8-17-9-7-15/h10-11H,2-9,13H2,1H3,(H2,14,16)/t10-,11+/m0/s1
InChIKeyKAQAEXZPPITGLC-WDEREUQCSA-N
XLogP-0.06
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide?
The IUPAC name of (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide (CID 67248756) is (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide.
What is the SMILES notation for (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide?
The canonical SMILES for (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide is C[C@@H](CCCCN1CCOCC1)[C@@H](N)C(N)=O.
What is the InChIKey of (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide?
The InChIKey is KAQAEXZPPITGLC-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(11(13)12(14)16)4-2-3-5-15-6-8-17-9-7-15/h10-11H,2-9,13H2,1H3,(H2,14,16)/t10-,11+/m0/s1.
What are the key properties of (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide?
(2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide has a molecular weight of 243.35 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-methyl-7-morpholin-4-ylheptanamide is sourced from PubChem (CID 67248756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).