(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide

C13H26N2O2 — CID 61155391

IUPAC(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-12(14)13(16)15-6-3-7-17-9-11-4-5-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyDRLTXTSXIIFQJS-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds9

About (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide

(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide (PubChem CID 61155391) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
PubChem CID61155391
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-12(14)13(16)15-6-3-7-17-9-11-4-5-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyDRLTXTSXIIFQJS-LBPRGKRZSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
CID 103827564
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237
5-amino-N-[3-(cyclopropylmethoxy)propyl]hexanamide
CID 82848964
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride
CID 158547627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide (CID 61155391) is (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCCOCC1CC1.
What is the InChIKey of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide?
The InChIKey is DRLTXTSXIIFQJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)8-12(14)13(16)15-6-3-7-17-9-11-4-5-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide?
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide is sourced from PubChem (CID 61155391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).