(2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide

C14H18N2O3 — CID 123364980

IUPAC(2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide
SMILESCC(N)C[C@H](O)Cc1c[nH]c2ccccc12.O=C=O
InChIInChI=1S/C13H18N2O.CO2/c1-9(14)6-11(16)7-10-8-15-13-5-3-2-4-12(10)13;2-1-3/h2-5,8-9,11,15-16H,6-7,14H2,1H3;/t9?,11-;/m0./s1
InChIKeyNCSGYFWIWDAVMW-VLTGDTDDSA-N
MW262.31 g/mol
LogP1.23
Rot. Bonds4

About (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide

(2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide (PubChem CID 123364980) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide.

Molecular Properties

Compound Name(2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide
PubChem CID123364980
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide
SMILESCC(N)C[C@H](O)Cc1c[nH]c2ccccc12.O=C=O
InChIInChI=1S/C13H18N2O.CO2/c1-9(14)6-11(16)7-10-8-15-13-5-3-2-4-12(10)13;2-1-3/h2-5,8-9,11,15-16H,6-7,14H2,1H3;/t9?,11-;/m0./s1
InChIKeyNCSGYFWIWDAVMW-VLTGDTDDSA-N
XLogP1.23
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide
CID 159449428
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)-3-(methylamino)propan-2-ol
CID 83638401
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 54443221
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide?
The IUPAC name of (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide (CID 123364980) is (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide.
What is the SMILES notation for (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide?
The canonical SMILES for (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide is CC(N)C[C@H](O)Cc1c[nH]c2ccccc12.O=C=O.
What is the InChIKey of (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide?
The InChIKey is NCSGYFWIWDAVMW-VLTGDTDDSA-N. The full InChI is InChI=1S/C13H18N2O.CO2/c1-9(14)6-11(16)7-10-8-15-13-5-3-2-4-12(10)13;2-1-3/h2-5,8-9,11,15-16H,6-7,14H2,1H3;/t9?,11-;/m0./s1.
What are the key properties of (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide?
(2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide has a molecular weight of 262.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide is sourced from PubChem (CID 123364980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).