9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate

C18H19N3O3 — CID 143718810

IUPAC9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
SMILESC[C@H](NNC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O
InChIInChI=1S/C18H19N3O3/c1-11(17(19)22)20-21-18(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16,20H,10H2,1H3,(H2,19,22)(H,21,23)/t11-/m0/s1
InChIKeyVDOOTZSDBBTPSH-NSHDSACASA-N
MW325.37 g/mol
LogP1.90
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate

9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate (PubChem CID 143718810) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
PubChem CID143718810
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
SMILESC[C@H](NNC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O
InChIInChI=1S/C18H19N3O3/c1-11(17(19)22)20-21-18(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16,20H,10H2,1H3,(H2,19,22)(H,21,23)/t11-/m0/s1
InChIKeyVDOOTZSDBBTPSH-NSHDSACASA-N
XLogP1.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
(3S,4S)-3-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-4-methyl-2-oxohexanoic acid
CID 171600884
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate (CID 143718810) is 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate is C[C@H](NNC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
The InChIKey is VDOOTZSDBBTPSH-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(17(19)22)20-21-18(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16,20H,10H2,1H3,(H2,19,22)(H,21,23)/t11-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate?
9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate has a molecular weight of 325.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate is sourced from PubChem (CID 143718810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).