(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide

C18H24N4O3 — CID 119956298

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c19-15(11-13-12-21-16-4-2-1-3-14(13)16)18(24)20-6-5-17(23)22-7-9-25-10-8-22/h1-4,12,15,21H,5-11,19H2,(H,20,24)/t15-/m0/s1
InChIKeyVSSKLGIZNUNWML-HNNXBMFYSA-N
MW344.41 g/mol
LogP0.40
Rot. Bonds6

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide (PubChem CID 119956298) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
PubChem CID119956298
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c19-15(11-13-12-21-16-4-2-1-3-14(13)16)18(24)20-6-5-17(23)22-7-9-25-10-8-22/h1-4,12,15,21H,5-11,19H2,(H,20,24)/t15-/m0/s1
InChIKeyVSSKLGIZNUNWML-HNNXBMFYSA-N
XLogP0.40
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
CID 119957860
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 119956280
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 56746946
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
3-acetamido-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 110625994

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide (CID 119956298) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The InChIKey is VSSKLGIZNUNWML-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3/c19-15(11-13-12-21-16-4-2-1-3-14(13)16)18(24)20-6-5-17(23)22-7-9-25-10-8-22/h1-4,12,15,21H,5-11,19H2,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide is sourced from PubChem (CID 119956298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).