(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid

C20H24N2O2 — CID 99124071

IUPAC(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
SMILESCCn1c2ccccc2c2cc(CN[C@H](C(=O)O)C(C)C)ccc21
InChIInChI=1S/C20H24N2O2/c1-4-22-17-8-6-5-7-15(17)16-11-14(9-10-18(16)22)12-21-19(13(2)3)20(23)24/h5-11,13,19,21H,4,12H2,1-3H3,(H,23,24)/t19-/m0/s1
InChIKeyAVDYLVIHFPRLAX-IBGZPJMESA-N
MW324.42 g/mol
LogP4.01
Rot. Bonds6

About (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid

(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid (PubChem CID 99124071) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
PubChem CID99124071
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
SMILESCCn1c2ccccc2c2cc(CN[C@H](C(=O)O)C(C)C)ccc21
InChIInChI=1S/C20H24N2O2/c1-4-22-17-8-6-5-7-15(17)16-11-14(9-10-18(16)22)12-21-19(13(2)3)20(23)24/h5-11,13,19,21H,4,12H2,1-3H3,(H,23,24)/t19-/m0/s1
InChIKeyAVDYLVIHFPRLAX-IBGZPJMESA-N
XLogP4.01
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 32664036
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-methyl-2-[(4-phenylphenyl)methylamino]butanoic acid
CID 43468629
9-ethylcarbazole-3-carboxylic acid
CID 4912869
(2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid
CID 99779391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid (CID 99124071) is (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid is CCn1c2ccccc2c2cc(CN[C@H](C(=O)O)C(C)C)ccc21.
What is the InChIKey of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid?
The InChIKey is AVDYLVIHFPRLAX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-22-17-8-6-5-7-15(17)16-11-14(9-10-18(16)22)12-21-19(13(2)3)20(23)24/h5-11,13,19,21H,4,12H2,1-3H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid?
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid has a molecular weight of 324.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid is sourced from PubChem (CID 99124071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).