(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide

C10H22N2O2 — CID 170069625

IUPAC(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
SMILESCOC[C@H](C)C(=O)NCCCCCN
InChIInChI=1S/C10H22N2O2/c1-9(8-14-2)10(13)12-7-5-3-4-6-11/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyMXHYHKHPKQLKGM-VIFPVBQESA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds8

About (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide

(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide (PubChem CID 170069625) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
PubChem CID170069625
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
SMILESCOC[C@H](C)C(=O)NCCCCCN
InChIInChI=1S/C10H22N2O2/c1-9(8-14-2)10(13)12-7-5-3-4-6-11/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyMXHYHKHPKQLKGM-VIFPVBQESA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
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

N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate
CID 159020749
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
2-(3-aminopropylcarbamoylamino)-3-methoxypropanoic acid
CID 81085801
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
4-(6-aminohexylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 90278241
methyl (2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-(5-aminopentylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 158005955
N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide (CID 170069625) is (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide is COC[C@H](C)C(=O)NCCCCCN.
What is the InChIKey of (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide?
The InChIKey is MXHYHKHPKQLKGM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(8-14-2)10(13)12-7-5-3-4-6-11/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide?
(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 170069625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).