(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate

C19H30N2O4 — CID 67698732

IUPAC(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
SMILESCc1ccccc1COC(=O)N[C@@H](CN[C@H]1CCOC1O)CC(C)C
InChIInChI=1S/C19H30N2O4/c1-13(2)10-16(11-20-17-8-9-24-18(17)22)21-19(23)25-12-15-7-5-4-6-14(15)3/h4-7,13,16-18,20,22H,8-12H2,1-3H3,(H,21,23)/t16-,17+,18?/m1/s1
InChIKeyDPPXWNSCKDSMTO-DVKDBIPTSA-N
MW350.46 g/mol
LogP2.33
Rot. Bonds8

About (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate

(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 67698732) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Name(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID67698732
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
SMILESCc1ccccc1COC(=O)N[C@@H](CN[C@H]1CCOC1O)CC(C)C
InChIInChI=1S/C19H30N2O4/c1-13(2)10-16(11-20-17-8-9-24-18(17)22)21-19(23)25-12-15-7-5-4-6-14(15)3/h4-7,13,16-18,20,22H,8-12H2,1-3H3,(H,21,23)/t16-,17+,18?/m1/s1
InChIKeyDPPXWNSCKDSMTO-DVKDBIPTSA-N
XLogP2.33
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate with MolForge

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Related Compounds

tridecyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
CID 67576309
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide
CID 67697853
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
CID 67699188
[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)methoxycarbonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67698910
benzyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22444784
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
ethyl N-[4-methyl-1-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]pentan-2-yl]carbamate
CID 111360673
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
[(2S,3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]oxolan-2-yl] acetate
CID 54054053
benzyl N-[(2S)-1-[[(1S,3S)-2-hydroxy-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]cyclopentyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10793827
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
CID 67699186

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate (CID 67698732) is (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate is Cc1ccccc1COC(=O)N[C@@H](CN[C@H]1CCOC1O)CC(C)C.
What is the InChIKey of (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is DPPXWNSCKDSMTO-DVKDBIPTSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13(2)10-16(11-20-17-8-9-24-18(17)22)21-19(23)25-12-15-7-5-4-6-14(15)3/h4-7,13,16-18,20,22H,8-12H2,1-3H3,(H,21,23)/t16-,17+,18?/m1/s1.
What are the key properties of (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate?
(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 67698732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).