2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid

C12H24N2O3 — CID 83040790

IUPAC2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
SMILESCCCC(NC(C)CN1CCOCC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-4-11(12(15)16)13-10(2)9-14-5-7-17-8-6-14/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeySRNOEGYYAMSYPS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds7

About 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid

2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid (PubChem CID 83040790) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
PubChem CID83040790
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
SMILESCCCC(NC(C)CN1CCOCC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-4-11(12(15)16)13-10(2)9-14-5-7-17-8-6-14/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeySRNOEGYYAMSYPS-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
(2S)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 107568380
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 103813602
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide
CID 110887574
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566478
(2S)-2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566498
(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide
CID 100685852
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675929
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
N-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]acetamide
CID 107529281

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid?
The IUPAC name of 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid (CID 83040790) is 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid is CCCC(NC(C)CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid?
The InChIKey is SRNOEGYYAMSYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-11(12(15)16)13-10(2)9-14-5-7-17-8-6-14/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid?
2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 83040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).