propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate

C22H24N2O4 — CID 171677042

IUPACpropan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate
SMILESCc1cccc2[nH]c(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)C)cc12
InChIInChI=1S/C22H24N2O4/c1-13(2)28-22(27)20(11-15-7-9-16(25)10-8-15)24-21(26)19-12-17-14(3)5-4-6-18(17)23-19/h4-10,12-13,20,23,25H,11H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyVRPNVVAHKUGLAG-FQEVSTJZSA-N
MW380.44 g/mol
LogP3.47
Rot. Bonds6

About propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate

propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate (PubChem CID 171677042) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate
PubChem CID171677042
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namepropan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate
SMILESCc1cccc2[nH]c(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)C)cc12
InChIInChI=1S/C22H24N2O4/c1-13(2)28-22(27)20(11-15-7-9-16(25)10-8-15)24-21(26)19-12-17-14(3)5-4-6-18(17)23-19/h4-10,12-13,20,23,25H,11H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyVRPNVVAHKUGLAG-FQEVSTJZSA-N
XLogP3.47
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxyphenyl)-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217394
methyl 3-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoate
CID 108799703
(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)amino]-3-(4-iodophenyl)propanoic acid
CID 164610657
methyl (2S)-2-[[3,5-bis[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 139041889
propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(6-iodo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]propanoate
CID 91470365
ethyl (E)-4-[[3-(3,4-dimethylphenyl)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]pent-2-enoate
CID 18711724
2-amino-1-(4-methyl-1H-indol-2-yl)ethanone
CID 82405076
propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate
CID 66646632
ethyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 66843057
ethyl 2-[(6-chloro-5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 166376573
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate (CID 171677042) is propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate is Cc1cccc2[nH]c(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)C)cc12.
What is the InChIKey of propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate?
The InChIKey is VRPNVVAHKUGLAG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13(2)28-22(27)20(11-15-7-9-16(25)10-8-15)24-21(26)19-12-17-14(3)5-4-6-18(17)23-19/h4-10,12-13,20,23,25H,11H2,1-3H3,(H,24,26)/t20-/m0/s1.
What are the key properties of propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate?
propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate has a molecular weight of 380.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-(4-hydroxyphenyl)-2-[(4-methyl-1H-indole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 171677042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).